SCHEMBL4428057

SCHEMBL4428057

CC(C)(Br)C(=O)c1ccc(C(Br)c2ccc(C(=O)C3(Br)CCCCC3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1553898 0.82 HPGD (0.38) OPRM1OPRD1
SCHEMBL1553747 0.82 HPGD (0.38)
SCHEMBL4416120 0.81 MLYCD (0.34)
SCHEMBL3678905 0.79 OPRM1 (0.33) OPRM1OPRD1
SCHEMBL480373 0.71 GSK3B (0.35)
SCHEMBL3669531 0.70 MLYCD (0.34)
SCHEMBL4611297 0.70 GSK3B (0.51)
SCHEMBL4117188 0.69 KEAP1 (0.35) OPRM1OPRD1
SCHEMBL4418071 0.69 CA2 (0.36)
SCHEMBL27625184 0.69 MLYCD (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed