SCHEMBL3890936

SCHEMBL3890936

CC1C(CN=C=O)CCCC1N=C=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL131130 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL571423 0.83 ALDH1A1 (0.40) ALDH1A1
SCHEMBL8527119 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL43689 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL20338142 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL22899091 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8664122 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL24699834 0.74 ALDH1A1 (0.50) ALDH1A1
SCHEMBL302555 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL231493 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128382-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE BASF Aktiengesellschaft (DE) 1989-09-27 EP claimed
EP-0128382-A1 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use BASF Aktiengesellschaft (DE) 1984-12-19 EP claimed
CN-100573325-C Photocrosslinkable polyurethane HUNTSMAN ADV MAT SWITZERLAND (CH) 2009-12-23 CN disclosed
EP-1651695-B1 PHOTOCROSSLINKABLE POLYURETHANES HUNTSMAN ADV MAT SWITZERLAND (CH) 2009-01-21 EP disclosed
US-7476484-B2 Photocrosslinkable polyurethanes HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) 2009-01-13 US disclosed
CN-1835981-A Photocrosslinkable polyurethanes HUNTSMAN ADV MAT SWITZERLAND (CH) 2006-09-20 CN disclosed
US-20060204895-A1 Photocrosslinkable polyurethanes HUNTSMAN ADVANCED MATERIALS AMERICA INC. (US) 2006-09-14 US disclosed
EP-1651695-A1 PHOTOCROSSLINKABLE POLYURETHANES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2006-05-03 EP disclosed
WO-2005014682-A1 PHOTOCROSSLINKABLE POLYURETHANES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-02-17 WO disclosed
EP-0128382-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE BASF Aktiengesellschaft (DE) 1989-09-27 EP disclosed
EP-0128382-A1 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed