SCHEMBL12249052

SCHEMBL12249052

CC(CN)NCCCCCCNC(C)CN

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
ALDH1A1 P00352 1/20 0.33
GRIA1 P42261 3/20 0.32
PAOX Q6QHF9 2/20 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
SCHEMBL12227410 0.93 CA12 (0.40) ALDH1A1PAOX
SCHEMBL2517523 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL1020074 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL9077498 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL443773 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL15573849 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL237286 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL448927 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL11770492 0.91 EPHX1 (0.42) ALDH1A1
SCHEMBL239268 0.91 EPHX1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233338-B2 Composition for treating acid gas NALCO COMPANY (US) 2016-01-12 US disclosed
US-20140138578-A1 COMPOSITION FOR TREATING ACID GAS APERGY ESP SYSTEMS, LLC 2014-05-22 US disclosed
US-8318114-B2 Composition for treating acid gas NALCO COMPANY 2012-11-27 US disclosed
US-20110256043-A1 COMPOSITION FOR TREATING ACID GAS PCS FERGUSON, INC. 2011-10-20 US disclosed