SCHEMBL491152

SCHEMBL491152

CCC[CH]CC#N

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
SCHEMBL8011659 0.83
SCHEMBL10670493 0.81
SCHEMBL8441803 0.79 TSHR (0.42)
SCHEMBL8602004 0.79 TSHR (0.42)
SCHEMBL270148 0.75
SCHEMBL5393133 0.74
SCHEMBL5393127 0.74
SCHEMBL5393123 0.74
SCHEMBL8012307 0.74
SCHEMBL5452325 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
US-20030195311-A1 Multi-component liquid azo-peroxide initiator mixture and method for using same CROMPTON CORPORATION 2003-10-16 US claimed
EP-0847383-B1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES DU PONT (US) 2001-11-07 EP claimed
EP-0847383-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-17 EP claimed
US-5760192-A FREE RADICAL, POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-02 US claimed
WO-1997008137-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO claimed
US-8106194-B2 Pyrrolopyrimidine and pyrrolotriazine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20070270588-A1 Pyrrolopyrimidine Derivatives TAISHO PHARMACEUTICAL CO., LTD. 2007-11-22 US disclosed
EP-1725562-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-11-29 EP disclosed
EP-1706410-A2 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-10-04 EP disclosed
WO-2005085253-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 WO disclosed
WO-2005066142-A2 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0788479-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1997008137-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed
WO-1996014298-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1996-05-17 WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
EP-0266890-A1 Imidazopyridine derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-05-11 EP disclosed