SCHEMBL6131172

SCHEMBL6131172

C=C(C)C(=O)OC[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL15666080 0.87 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL28688493 0.84 TSHR (0.51) TSHRTHRBALDH1A1
SCHEMBL1415511 0.81 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL3098779 0.81 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL28557383 0.80 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL9356678 0.80 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL21295949 0.79 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL13024828 0.76 TSHR (0.43) TSHR
SCHEMBL31553186 0.76 THRB (0.48) TSHRTHRBALDH1A1
Perflexane SCHEMBL28384308 0.76 THRB (0.48) 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-20050206704-A1 Recording method using ink containing an aqueous dispersion of microparticles containing an oil-soluble compound FUJI PHOTO FILM CO., LTD. 2005-09-22 US disclosed