SCHEMBL2839059

SCHEMBL2839059

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
DNM1 Q05193 3/20 0.39
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 1/20 0.30
HRH2 P25021 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL234773 0.80 PLA2G1B (0.35) ALDH1A1TSHRDNM1TDP1
SCHEMBL2847436 0.79 PLA2G1B (0.36)
SCHEMBL2361412 0.78 DNM1 (0.40) ALDH1A1TSHRDNM1
SCHEMBL10810975 0.76 DNM1 (0.44) ALDH1A1TSHRDNM1
SCHEMBL8679255 0.76 DNM1 (0.44) ALDH1A1TSHRDNM1
SCHEMBL2933963 0.76 DNM1 (0.44) ALDH1A1TSHRDNM1
SCHEMBL258808 0.74 FDPS (0.37)
SCHEMBL6828566 0.72
SCHEMBL17431703 0.71 ALDH1A1 (0.39) ALDH1A1TSHRDNM1TDP1CYP1A2
SCHEMBL1830704 0.70 MAPT (0.35)

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 15 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-2106415-A1 TERTIARY AMINES BLOCKED WITH POLYMER ACIDS Huntsman Petrochemical Corporation (US) 2009-10-07 EP disclosed
US-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 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
WO-2008089411-A1 TERTIARY AMINES BLOCKED WITH POLYMER ACIDS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2008-07-24 WO 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-20030144371-A1 Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers TOSOH CORPORATION (JP) 2003-07-31 US 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-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP 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