SCHEMBL31385

SCHEMBL31385

C=CC[N]C(=O)CC=C

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
SCHEMBL9603476 0.78
SCHEMBL175573 0.77 TSHR (0.32)
SCHEMBL4560663 0.74
SCHEMBL628091 0.74
SCHEMBL2283357 0.74
SCHEMBL6190437 0.74
SCHEMBL9351180 0.74 ALOX15 (0.43)
SCHEMBL251766 0.72
SCHEMBL2467227 0.72
SCHEMBL594094 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015425-A1 HERBICIDAL BENZOXAZINES FMC CORPORATION (US) 2024-01-18 WO claimed
WO-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO claimed
EP-4263518-A1 NEW QUINAZOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-10-25 EP claimed
EP-4263541-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-10-25 EP claimed
US-20230331682-A1 NEW QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-19 US claimed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US claimed
WO-2022129259-A1 NEW QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-23 WO claimed
WO-2022129260-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-23 WO claimed
EP-2609094-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-05-30 EP claimed
US-9930890-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-04-03 US claimed
US-5354779-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US claimed
US-5312960-A Fungicidal 2-methoximinocarboxylic esters BAYER AKTIENGESELLSCHAFT (DE) 1994-05-17 US claimed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP claimed
EP-0546387-A1 Substituted oximetheramides BAYER AG (DE) 1993-06-16 EP claimed
EP-0529974-A1 Fungicidal 2-aryl-2-cyano-2-(aryloxyalkyl)ethyl-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-03-03 EP claimed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP claimed
EP-0464381-A2 2-Methoxyiminocarboxylic acid esters BAYER AG (DE) 1992-01-08 EP claimed
US-5039686-A Insecticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-08-13 US claimed
EP-0410238-A2 Pyridazinone derivatives BAYER AG (DE) 1991-01-30 EP claimed
EP-0241826-A1 3-Amino-2-cyano-acrylic acid esters BAYER AG (DE) 1987-10-21 EP claimed