SCHEMBL7790906

SCHEMBL7790906

Brc1cccc2c1C=[C]C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32

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
SCHEMBL7790734 0.74 ADRA2A (0.32)
SCHEMBL7790871 0.69 ALDH1A1 (0.33)
SCHEMBL7790916 0.67 ALDH1A1 (0.45) TRPA1
SCHEMBL7784960 0.65 TRPA1 (0.39) TRPA1
SCHEMBL15129393 0.62 BCHE (0.33)
SCHEMBL2783384 0.62 CA1 (0.32)
SCHEMBL30183336 0.62 CA1 (0.32)
SCHEMBL29539 0.62
SCHEMBL30039464 0.61 ALDH1A1 (0.36) TRPA1
Lithium SCHEMBL29767672 0.61 CA1 (0.32)

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
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed