SCHEMBL20859596

SCHEMBL20859596

C=C/C(F)=C\C=C(\C=C)CC

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
SCHEMBL13666049 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL23222761 0.75 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL18536299 0.74
SCHEMBL5383072 0.74
SCHEMBL329436 0.74
SCHEMBL24031204 0.73 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL19426776 0.73 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL17326865 0.73 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL14142661 0.71 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL14640444 0.71 ALDH1A1 (0.33) 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
EP-3461835-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ContraVir Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed