SCHEMBL1685591

SCHEMBL1685591

C=C/C=C(/C)NC

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
SCHEMBL18509290 1.00
SCHEMBL1685592 1.00
SCHEMBL11992476 0.80
SCHEMBL14394181 0.80
SCHEMBL20798438 0.77
SCHEMBL15587752 0.73
SCHEMBL8268469 0.73
SCHEMBL8882654 0.73
SCHEMBL21181001 0.73 ALDH1A1 (0.30)
SCHEMBL21991138 0.71

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307468-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI (IT) 2012-06-13 EP claimed
EP-2307468-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS Pirelli Tyre S.P.A. (IT) 2011-04-13 EP claimed
WO-2010006655-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI TYRE S.P.A. (IT) 2010-01-21 WO claimed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
WO-2021104461-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR 南京明德新药研发有限公司 2021-06-03 WO disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
EP-2350026-B1 SULFOXIMINE SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2014-06-18 EP disclosed
EP-2307468-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI (IT) 2012-06-13 EP disclosed
EP-2307468-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS Pirelli Tyre S.P.A. (IT) 2011-04-13 EP disclosed
WO-2010006655-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI TYRE S.P.A. (IT) 2010-01-21 WO disclosed