SCHEMBL3921745

SCHEMBL3921745

CCC(O)CN(C)CCN(C)CCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.31

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
SCHEMBL3930915 1.00 CA12 (0.50) CA12CA2CA3CA4CA6
SCHEMBL7147102 1.00 CA12 (0.50) CA12CA2CA3CA4CA6
SCHEMBL20356793 0.98 CA12 (0.46) CA12CA2CA3CA4CA6
SCHEMBL25707806 0.85 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL17383350 0.84 KDM4E (0.34) KDM4EL3MBTL1
SCHEMBL3931594 0.83 CA12 (0.46) CA12CA2CA3CA4CA6
SCHEMBL7144565 0.83 CA12 (0.46) CA12CA2CA3CA4CA6
SCHEMBL3930859 0.83 CA12 (0.46) CA12CA2CA3CA4CA6
SCHEMBL25168083 0.81 CA12 (0.48) CA12CA2CA3CA4CA6
SCHEMBL19601301 0.81 ABCB1 (0.35) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262500-B1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORP (JP) 2015-12-30 EP disclosed
US-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 US disclosed
US-7064172-B2 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2006-06-20 US disclosed
US-20040147705-A1 Catalyst for production of a polyurethane resin and method for producting a polyurethane resin TOSOH CORPORATION (JP) 2004-07-29 US disclosed
US-6723819-B2 TERTIARY NITROGEN CATALYSTS THAT MAY BE AMINES, IMIDAZOLES, AND/OR UREAS TOSOH CORPORATION (JP) 2004-04-20 US 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
EP-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP disclosed
US-20030088046-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2003-05-08 US disclosed
EP-1262500-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin Tosoh Corporation (JP) 2002-12-04 EP disclosed