SCHEMBL6901589

SCHEMBL6901589

CN(C)CCOCCN(C)CCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
CA3 P07451 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
CA1 P00915 2/20 0.43
USP2 O75604 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL18827666 1.00 CA12 (0.61) CA12CA2CA9CA3CA4
SCHEMBL769551 0.94 CA12 (0.50) CA12CA2CA9CA3CA4
SCHEMBL26447226 0.87 CA12 (0.52) CA12CA2CA9CA3CA4
SCHEMBL25477638 0.85 CA12 (0.50) CA12CA2CA9CA3CA4
SCHEMBL22374873 0.85 CA2 (0.50) CA12CA2CA9CA3CA4
SCHEMBL25477639 0.85 CA12 (0.50) CA12CA2CA9CA3CA4
SCHEMBL15091 0.85 CA12 (0.52) CA12CA2CA9CA3CA4
SCHEMBL13612952 0.84 CA12 (0.55) CA12CA2CA9CA3CA4
SCHEMBL25478263 0.84 PIK3CD (0.48) CA12CA2CA9CA3CA4
SCHEMBL8046165 0.84 ALDH1A1 (0.41) CA12CA2CA9CA3CA4

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-0902039-B1 Polyurea foam made from a partially aminated polyether polyamine HUNTSMAN SPEC CHEM CORP (US) 2004-03-24 EP disclosed
EP-0504448-B1 Process for the preparation of polyurea elastomerbased foamed masses HUNTSMAN INTERNATIONAL TRADING (DE) 2000-01-12 EP disclosed
EP-0902039-A1 Polyurea foam made from a partially aminated polyether polyamine Huntsman Petrochemical Corporation (US) 1999-03-17 EP disclosed
US-5700846-A Polyurea foam made from a partially aminated polyether polyamine HUNTSMAN PETROCHEMICAL CORPORATION (US) 1997-12-23 US disclosed
US-5270014-A Apparatus for producing a foamed mass of a polyurea elastomer KRAUSS-MAFFEI AG (DE) 1993-12-14 US disclosed
US-5189073-A From polyetheramine and polyisocyanate; using tertiary amine catalyst and halogen-free blowing agent TEXACO CHEMICAL CO. (US) 1993-02-23 US disclosed
US-5157059-A Feeding polyetheramine, polyisocyanate, and water into mold to form low density foams KRAUSS-MAFFEI AG (DE) 1992-10-20 US disclosed
EP-0504447-A1 Process and device for the preparation of foamed masses based on polyurea-elastomers Krauss-Maffei Aktiengesellschaft (DE) 1992-09-23 EP disclosed
EP-0504448-A1 Process for the preparation of polyurea elastomerbased foamed masses Huntsman International Trading Deutschland GmbH (DE) 1992-09-23 EP disclosed