SCHEMBL2845503

SCHEMBL2845503

CCC(N(CCCO)CCCO)N(CCCN(CC)CC)CCCN(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC2A1 P11166 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2850206 0.92 CYP1A2 (0.33) PAOXALDH1A1SIGMAR1SLC2A1NPSR1
SCHEMBL2849384 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3935089 0.85 CYP1A2 (0.32) PAOXALDH1A1SIGMAR1
SCHEMBL2843587 0.82 MAPT (0.39) ALDH1A1
SCHEMBL2845508 0.80 PAOX (0.39) PAOXALDH1A1SIGMAR1SLC2A1NPSR1
SCHEMBL2849387 0.80 PAOX (0.39) PAOXALDH1A1SIGMAR1SLC2A1NPSR1
SCHEMBL11713997 0.80 HSD17B10 (0.41) PAOXALDH1A1SIGMAR1SLC2A1NPSR1
SCHEMBL9242 0.80
SCHEMBL19206141 0.80
SCHEMBL3929224 0.79 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP claimed
US-6596663-B1 Reacting a polyol with an organic polyisocyanate in the presence of a diamine catalyst and, if necessary, a blowing agent, a surfactant, a cross-linking agent TOSOH CORPORATION (JP) 2003-07-22 US claimed
EP-1092737-A2 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin Tosoh Corporation (JP) 2001-04-18 EP claimed
US-8877825-B2 Catalyst composition for production of polyurethane resin and method for producing polyurethane resin TOSOH CORPORATION (JP) 2014-11-04 US disclosed
EP-2050775-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN TOSOH CORP (JP) 2013-08-14 EP disclosed
US-20100130629-A1 CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN (AS AMENDED) TOSOH CORPORATION (JP) 2010-05-27 US disclosed
EP-2050775-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN Tosoh Corporation (JP) 2009-04-22 EP disclosed
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP disclosed
US-6596663-B1 Reacting a polyol with an organic polyisocyanate in the presence of a diamine catalyst and, if necessary, a blowing agent, a surfactant, a cross-linking agent TOSOH CORPORATION (JP) 2003-07-22 US disclosed
EP-1092737-A2 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin Tosoh Corporation (JP) 2001-04-18 EP disclosed