SCHEMBL3234573

SCHEMBL3234573

C[C](C#N)C(C)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
SCHEMBL7100950 0.69
SCHEMBL29085629 0.69
SCHEMBL12311143 0.67
SCHEMBL17827407 0.67
SCHEMBL12449732 0.67 TDP1 (0.35)
SCHEMBL21342603 0.67 TSHR (0.38)
SCHEMBL11004435 0.67
SCHEMBL22837495 0.65 TDP1 (0.33)
SCHEMBL22122202 0.65
SCHEMBL94704 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP claimed
EP-2997020-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-03-23 EP disclosed
WO-2014184343-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-11-20 WO disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP disclosed
EP-1940779-B1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO (JP) 2009-07-22 EP disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
US-5276009-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-5258357-A Carboxamides, their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
US-5201934-A Carboxamides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
EP-0467206-A2 Dicarboxylic acid imides, processes for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1992-01-22 EP disclosed
US-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US disclosed
EP-0423523-A2 Carboxylic acid amides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1991-04-24 EP disclosed
EP-0333791-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1989-09-27 EP disclosed
WO-1989002891-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1989-04-06 WO disclosed
US-4535091-A MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-08-13 US disclosed
EP-0126226-A2 N-(alpha-cyanoalkylsulfenyl)-o-(pyrazol-4-yl) carbamates, processes for their preparation and their use as biocides BAYER AG (DE) 1984-11-28 EP disclosed