SCHEMBL19386396

SCHEMBL19386396

C=C(C)C(=O)OCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(C)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL12939125 0.96 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL12912834 0.85 TSHR (0.38) TSHRTHRBALDH1A1
SCHEMBL15432414 0.84 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL18116478 0.83 THRB (0.42) TSHRTHRBALDH1A1
SCHEMBL245591 0.83 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL12912841 0.82 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL13554470 0.81 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL12912836 0.81 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL15432456 0.79 THRB (0.44) TSHRTHRBALDH1A1
SCHEMBL12912880 0.79 THRB (0.38) TSHRTHRBALDH1A1

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-9770399-B2 Hair care compositions and methods of treating hair LIVING PROOF, INC. (US) 2017-09-26 US disclosed