SCHEMBL3661081

SCHEMBL3661081

O=C=NC1CCCC(CI)C1N=C=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1890241 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8527119 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7782863 0.80 ALDH1A1 (0.44) ALDH1A1
Hydrogen Sulfide SCHEMBL3909560 0.78 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3397851 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL26610 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL18855928 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11451590 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL48400 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL29007560 0.70 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203495-A1 POLYURETHANE RESINS FOR LAMINATING INKS Cognis IP Management GmbH (DE) 2010-07-07 EP disclosed
WO-2009052973-A1 POLYURETHANE RESINS FOR LAMINATING INKS COGNIS IP MANAGEMENT GMBH (DE) 2009-04-30 WO disclosed