SCHEMBL5406946

SCHEMBL5406946

COc1c(C)cc2c(c1C)C(C)(C)CC2=C(C#N)C(=O)C(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
SCHEMBL5406940 1.00
SCHEMBL7168266 0.84 POLB (0.31)
SCHEMBL14543004 0.83
SCHEMBL5403688 0.79 EGFR (0.31)
SCHEMBL5403690 0.79 EGFR (0.31)
SCHEMBL5406525 0.77 RARB (0.32)
SCHEMBL5406530 0.77 RARB (0.32)
SCHEMBL5397197 0.74 ALDH1A1 (0.36)
SCHEMBL5397192 0.74 ALDH1A1 (0.36)
SCHEMBL5405655 0.73 POLA1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US claimed
EP-1466892-A1 Novel indanylidene compounds Symrise GmbH & Co. KG (DE) 2004-10-13 EP claimed
EP-1341752-B1 NOVEL INDANYLIDENE COMPOUNDS SYMRISE GMBH & CO KG (DE) 2004-08-04 EP claimed
CN-1473146-A Novel indanylidene compounds ������������� 2004-02-04 CN claimed
EP-1341752-A1 NOVEL INDANYLIDENE COMPOUNDS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP claimed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 US claimed
WO-2002038537-A1 NOVEL INDANYLIDENE COMPOUNDS HAARMANN & REIMER GMBH (DE) 2002-05-16 WO claimed
US-20070185057-A1 Novel Indanone Compounds SYMRISE GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US disclosed
EP-1466892-A1 Novel indanylidene compounds Symrise GmbH & Co. KG (DE) 2004-10-13 EP disclosed
EP-1341752-B1 NOVEL INDANYLIDENE COMPOUNDS SYMRISE GMBH & CO KG (DE) 2004-08-04 EP disclosed
CN-1473146-A Novel indanylidene compounds ������������� 2004-02-04 CN disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 US disclosed