SCHEMBL28060726

SCHEMBL28060726

O=[N+]([O-])C1COC(Br)CO1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
SCHEMBL7252280 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10501292 0.83
SCHEMBL28808309 0.73
SCHEMBL28758444 0.67
SCHEMBL11476347 0.62
SCHEMBL3688339 0.62 ALDH1A1 (0.37) ALDH1A1
SCHEMBL877528 0.62 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17673074 0.56
SCHEMBL9478944 0.53
SCHEMBL3287236 0.53

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-101573036-B Synergistic microbicidal compositions comprising N-cyanoiminodithiocarbonate and a second microbicide and methods of using same to control microorganisms BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2016-06-01 CN disclosed