SCHEMBL4427196

SCHEMBL4427196

CN(CCO)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1.CNCCO

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.48
OPRM1 P35372 1/20 0.48
CHEK2 O96017 1/20 0.37
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
TXNRD1 Q16881 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
SCHEMBL3102250 0.91 OPRD1 (0.40) OPRD1OPRM1CHEK2HPGDL3MBTL1
SCHEMBL13999298 0.87 OPRD1 (0.41) OPRD1OPRM1CHEK2HPGDL3MBTL1
SCHEMBL3671967 0.86 OPRD1 (0.48) OPRD1OPRM1L3MBTL1
SCHEMBL4427199 0.83 OPRM1 (0.38) OPRD1OPRM1CHEK2
SCHEMBL4415201 0.79 OPRD1 (0.36) OPRD1OPRM1HPGDL3MBTL1TXNRD1
SCHEMBL4425716 0.78 OPRD1 (0.38) OPRD1OPRM1HPGDL3MBTL1
SCHEMBL4420950 0.78 OPRD1 (0.36) OPRD1OPRM1HPGDTXNRD1
SCHEMBL4413065 0.76 TXNRD1 (0.42) OPRD1OPRM1TXNRD1
SCHEMBL4427266 0.76 LSS (0.35) OPRD1OPRM1HPGDTXNRD1
SCHEMBL4415856 0.75 OPRD1 (0.47) OPRD1OPRM1HPGDL3MBTL1

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 3 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