SCHEMBL7040130

SCHEMBL7040130

[N]O[C]=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Carbon Dioxide SCHEMBL29822973 0.63
Carbon Dioxide SCHEMBL30161728 0.60
SCHEMBL58696 0.59
SCHEMBL384339 0.59
Carbon Dioxide SCHEMBL19876126 0.59
SCHEMBL148684 0.56
SCHEMBL6369 0.56
SCHEMBL156869 0.56
SCHEMBL2830757 0.56
SCHEMBL9182568 0.56

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741694-B1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND AGENTS CONTAINING THEM BASF AG (DE) 2003-04-02 EP claimed
EP-0861229-B1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE AS FUNGICIDES AND PESTICIDES BASF AG (DE) 2002-01-23 EP claimed
EP-0842144-B1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS PARASITICIDES AND FUNGICIDES BASF AG (DE) 2001-10-31 EP claimed
EP-1077953-A2 BISOXIMETHER DERIVATIVES, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF, AND THEIR USE FOR COMBATING FUNGICIDAL PESTS AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP claimed
EP-0876344-B1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AG (DE) 2000-08-23 EP claimed
EP-0738259-B1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND AGENTS CONTAINING THEM BASF AG (DE) 2000-08-16 EP claimed
EP-0873307-B1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AG (DE) 2000-05-31 EP claimed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US claimed
WO-1999059982-A2 BISOXIMETHER DERIVATIVES, INTERMEDIATE PRODUCTS, AND THEIR USE FOR COMBATING FUNGICIDAL PESTS AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO claimed
EP-0876344-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP claimed
EP-0861229-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE AS FUNGICIDES AND PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP claimed
EP-0851863-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-07-08 EP claimed
EP-0842144-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS PARASITICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 EP claimed
WO-1997017328-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-05-15 WO claimed
WO-1997016412-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE AS FUNGICIDES AND PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-09 WO claimed
WO-1997011065-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
WO-1997005103-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS PARASITICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 WO claimed
WO-1995021153-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1995-08-10 WO claimed
US-4173636-A Decahydroquinolines, pharmaceutical compositions and methods of use LABAZ (FR) 1979-11-06 US claimed
US-6509379-B1 Variables are as disclosed herein, their salts, processes and intermediates for their preparation, and their use for controlling harmful fungi and animal pests. BASF AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed
US-6414031-B1 CONTROLLING FUNGI BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6232339-B1 INSECTICIDES; MITICIDES, NEMATOCIDES; FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6127568-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-6066756-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
US-6037378-A OXIMINATION; FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-14 US disclosed
US-5990339-A Phenylacetic acid derivatives, and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5965587-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
US-5948932-A INSECTICIDES; FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-09-07 US disclosed
US-5874467-A CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI; TRI-SUBSTITUTED BENZENE RING: ESTER OR CARBOXYLIC ACID, OPTIONALLY C-SUBSTITUTED OXIME GROUPS, AND HALOGENATED ALKYL, CYANO, NITRILE, ALKYL OR ALKOXY GROUPS BAYER HERBERT (DE) 1999-02-23 US disclosed
CN-1192200-A Phenylacetic acid derivatives, process and intermediates for their preparation, and their use as pest-killing compositions and fungicides BASF AG (DE) 1998-09-02 CN disclosed
EP-0851863-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-07-08 EP disclosed
WO-1997011065-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
US-4173636-A Decahydroquinolines, pharmaceutical compositions and methods of use LABAZ (FR) 1979-11-06 US disclosed
US-4173636-A Decahydroquinolines, pharmaceutical compositions and methods of use LABAZ (FR) 1979-11-06 US disclosed
US-4173636-A Decahydroquinolines, pharmaceutical compositions and methods of use LABAZ (FR) 1979-11-06 US disclosed