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SCHEMBL4420975

SCHEMBL4420975

CN(CCC(CN(C)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1)OC(=O)c1ccc(C(=O)O)cc1)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 5/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ GRIA4 P48058 1/20 0.30

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
SCHEMBL4413085 0.85 OPRM1 (0.36) OPRM1OPRD1
SCHEMBL4423420 0.84 OPRM1 (0.33) OPRM1OPRD1
SCHEMBL4427292 0.82 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL4418427 0.82 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL4420951 0.76 PHLPP2 (0.46) MAPK1MAPT
SCHEMBL3102250 0.74 OPRD1 (0.40) OPRM1OPRD1
SCHEMBL4423398 0.72 MLYCD (0.36) OPRM1OPRD1
SCHEMBL3671967 0.72 OPRD1 (0.48) OPRM1OPRD1
SCHEMBL4420950 0.71 OPRD1 (0.36) OPRM1OPRD1
SCHEMBL3670931 0.71 ALDH1A1 (0.41) UTS2RMAPTGRIA4

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