SCHEMBL28901339

SCHEMBL28901339

CC/C=C\C=CC=CC=CC=CC=CC=CC=CC=CC=CBr

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43

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
SCHEMBL9213492 0.97
SCHEMBL9213486 0.97
SCHEMBL731324 0.83 TRPA1 (0.56) TRPA1
SCHEMBL21831066 0.83 TRPA1 (0.56) TRPA1
SCHEMBL731323 0.83 TRPA1 (0.56) TRPA1
SCHEMBL13660441 0.83 TRPA1 (0.56) TRPA1
SCHEMBL6481571 0.79
SCHEMBL93753 0.79
SCHEMBL6481787 0.79
SCHEMBL3627580 0.79

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-111423320-B Preparation method of nervonic acid and nervonic acid 西北农林科技大学 2022-11-29 CN claimed