SCHEMBL7793785

SCHEMBL7793785

C=Cc1cccc2c1C[C]=C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7790871 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL586150 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9503524 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7639191 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL334471 0.63 ITGB2 (0.39) ALDH1A1
SCHEMBL4595232 0.63 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7790588 0.61 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6055372 0.61
SCHEMBL9332303 0.60 ALDH1A1 (0.50) ALDH1A1
SCHEMBL586149 0.60 ALDH1A1 (0.35) ALDH1A1

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