SCHEMBL21945783

SCHEMBL21945783

C=CC(=C)CC(C)(C)C(C)(F)C(=C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL18866703 0.69
SCHEMBL135426 0.69
SCHEMBL31707461 0.69 TSHR (0.32) TSHR
SCHEMBL11729201 0.67
SCHEMBL18663509 0.66 TSHR (0.34) TSHRALDH1A1TP53
SCHEMBL31707486 0.66 TSHR (0.30) TSHR
SCHEMBL31707451 0.66 TSHR (0.30) TSHR
SCHEMBL22383478 0.65
SCHEMBL23190258 0.64 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL31707458 0.64

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-2655061-B1 NONWOVEN WEBS HAVING IMPROVED BARRIER PROPERTIES KIMBERLY CLARK CO (US) 2020-04-22 EP disclosed