SCHEMBL2843587

SCHEMBL2843587

CCC(N(CCCO)CCCO)N(CCCN(C)C)CCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DNM1 Q05193 4/20 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
SCHEMBL2847426 0.92 MAPT (0.44) MAPTALDH1A1TSHRDNM1
SCHEMBL3920831 0.86 MAPT (0.42) MAPTALDH1A1TSHRDNM1
SCHEMBL2849384 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2842756 0.83 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL2845503 0.82 PAOX (0.33) ALDH1A1
SCHEMBL3928042 0.79 TSHR (0.32) ALDH1A1TSHRDNM1
Fluoride SCHEMBL11099490 0.78 LMNA (0.46) ALDH1A1TSHRDNM1
SCHEMBL9777544 0.77 SMN1; SMN2 (0.35) ALDH1A1TSHR
SCHEMBL8368 0.76
SCHEMBL19206140 0.76

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