SCHEMBL2843590

SCHEMBL2843590

CN(C)CCCN(CCCN(C)C)CCCN(CCCO)CCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
DNM1 Q05193 4/20 0.38
TDP1 Q9NUW8 3/20 0.36
HRH4 Q9H3N8 2/20 0.33
PAOX Q6QHF9 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL11037368 1.00 MAPT (0.50) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL1162254 1.00 MAPT (0.50) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL2843567 0.97 MAPT (0.48) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL9777546 0.92 ALDH1A1 (0.50) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL2843580 0.92 ALDH1A1 (0.58) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL2843890 0.92 ALDH1A1 (0.58) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL28639526 0.91 DNM1 (0.42) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL29099399 0.90 ALDH1A1 (0.55) MAPTALDH1A1TSHRDNM1PAOX
SCHEMBL8305704 0.89 MAPT (0.50) MAPTALDH1A1TSHRDNM1TDP1
SCHEMBL571030 0.89 MAPT (0.58) MAPTALDH1A1TSHRDNM1TDP1

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