SCHEMBL10697584

SCHEMBL10697584

C=CC(I)c1ccccc1C(I)C=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL4931538 0.84 GABRA1 (0.46) ALDH1A1TSHR
SCHEMBL21373252 0.84 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL19922280 0.77 ALDH1A1 (0.46) ALDH1A1
SCHEMBL10369180 0.76 CYP1A2 (0.46) ALDH1A1TSHR
SCHEMBL1172824 0.76 TSHR (0.38) ALDH1A1TSHR
SCHEMBL15796981 0.73 AKR1C3 (0.47) ALDH1A1
SCHEMBL7645238 0.73 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL9879772 0.67 TSHR (0.33) ALDH1A1TSHR
SCHEMBL666673 0.67 DPP4 (0.33) ALDH1A1TSHR
SCHEMBL7594286 0.67 ALDH1A1 (0.39) ALDH1A1TSHR

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-4774302-A BROMINE, IODINE CONTAINING AROMATIC CATALYSTS NIPPON MEKTRON LIMITED (JP) 1988-09-27 US claimed