SCHEMBL269698

SCHEMBL269698

CC(C)(C)CCCN[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
SCHEMBL2109128 0.93
SCHEMBL1959087 0.91
SCHEMBL271179 0.84
SCHEMBL1964001 0.83 CYP2C19 (0.33)
SCHEMBL1963420 0.79 ALDH1A1 (0.30)
SCHEMBL1767310 0.75
SCHEMBL270490 0.75
SCHEMBL1964010 0.75
SCHEMBL3583741 0.74
SCHEMBL1961160 0.73 TP53BP1 (0.33)

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 277 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903069-B1 NOVEL POLYMER AND METHOD OF MEASURING CHOLESTEROL THEREWITH WAKO PURE CHEM IND LTD (JP) 2015-08-12 EP disclosed
US-8754010-B2 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2014-06-17 US disclosed
EP-1697309-B1 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF SE (DE) 2014-04-23 EP disclosed
US-8604068-B2 Insecticidal compositions of 2-cyanobenzene sulfonamide compounds and isomeric forms thereof having improved effect BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
EP-2537829-A1 Aminobenzoylsulfamides and their preparation BASF SE (DE) 2012-12-26 EP disclosed
EP-2534952-A1 Insecticide compositions of 2-cyanobenzolsulfonamides and their isomeric forms with improved properties Bayer CropScience AG (DE) 2012-12-19 EP disclosed
US-20120302441-A1 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2012-11-29 US disclosed
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
US-5356931-A Use of α-arylacrylic derivatives for controlling pests BASF AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
WO-1994019331-A1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 1994-09-01 WO disclosed
WO-1994011334-A1 SUBSTITUTED ORTHO-ETHENYL-PHENYL ACETIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed
EP-0513580-A2 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
EP-0476607-A2 2-Anilino-cyanopyridines and their use for pest control BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0475158-A2 Use of alpha aryl acrylic acid derivatives for pest control BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed