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SCHEMBL4413049

SCHEMBL4413049

CN(CCOC(=O)NCCCCCCNC(=O)OCCN(C)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ACHE P22303 12/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL4419003 0.94 TXNRD1 (0.35) TXNRD1OPRM1OPRD1CHRNB2CHRNB4
SCHEMBL4413045 0.92 OPRM1 (0.35) TXNRD1OPRM1OPRD1CHRNB2CHRNB4
SCHEMBL4418445 0.91 KEAP1 (0.35) TXNRD1OPRM1OPRD1CHRNB2CHRNB4
SCHEMBL4413065 0.83 TXNRD1 (0.42) TXNRD1OPRM1OPRD1
SCHEMBL4418549 0.83 ACHE (0.38) ACHEMLYCDTSHR
SCHEMBL4427994 0.83 DNM1 (0.41) TXNRD1OPRM1OPRD1
SCHEMBL4418406 0.83 DNM1 (0.41) TXNRD1OPRM1OPRD1
SCHEMBL4420951 0.82 PHLPP2 (0.46) TXNRD1ACHETSHR
SCHEMBL4427273 0.81 DNM1 (0.39) TXNRD1OPRM1OPRD1
SCHEMBL4423408 0.81 TXNRD1 (0.40) TXNRD1OPRM1OPRD1

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