SCHEMBL23937291

SCHEMBL23937291

C1=C\CNCCCCCCCCCCC/1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL23961874 1.00
SCHEMBL1088943 1.00
SCHEMBL20965562 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL30832526 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL20962710 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21261840 0.97
SCHEMBL1461683 0.97
SCHEMBL1461682 0.97
SCHEMBL124959 0.88
SCHEMBL7003933 0.88

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
US-20210322445-A1 PHARMACEUTICAL COMPOSITIONS OF NICLOSAMIDE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 US disclosed