SCHEMBL28148672

SCHEMBL28148672

O=C=NC1(N=C=O)CCCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8811482 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28663623 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28149798 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21750 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL994327 0.97
Benzene SCHEMBL28217968 0.92 GAA (0.31)
SCHEMBL570542 0.91
Cyanate SCHEMBL28177339 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28192088 0.86
SCHEMBL29008238 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103748165-B The adhesion promotor and gel modifying agent of olefin metathesis composition 马特里亚公司 2017-06-09 CN claimed