SCHEMBL2887993

SCHEMBL2887993

Cc1cc(C)c(B(c2ccc(C3C=CC(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)(c4cccs4)S3)s2)c2c(C)cc(C)cc2C)c(C)c1

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
SCHEMBL17743474 0.76
SCHEMBL556141 0.70 MAPT (0.31)
SCHEMBL7787264 0.65 PTGS1 (0.38)
SCHEMBL127327 0.65 RAPGEF4 (0.37)
SCHEMBL16722869 0.62 RAPGEF4 (0.38)
SCHEMBL17146818 0.61 RAPGEF4 (0.33)
SCHEMBL418657 0.61 RAPGEF4 (0.33)
SCHEMBL1309487 0.59 ESR2 (0.36)
SCHEMBL1309857 0.57 HSD17B1 (0.41)
SCHEMBL16407584 0.57 RAPGEF4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8525159-B2 Organic light emitting element SHARP KABUSHIKI KAISHA (JP) 2013-09-03 US disclosed
US-8492752-B2 2013-07-23 US disclosed
US-20100283386-A1 DISPLAY DEVICE AND COMPOSITION FOR PRODUCING DISPLAY DEVICE, AND DISPLAY DEVICE SONY CORPORATION (JP) 2010-11-11 US disclosed
US-7670738-B2 Boron containing photoconductors XEROX CORPORATION (US) 2010-03-02 US disclosed
US-20090243471-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJI ELECTRIC HOLDINGS CO., LTD. (JP) 2009-10-01 US disclosed
US-20090061338-A1 BORON CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-03-05 US disclosed