SCHEMBL12128293

SCHEMBL12128293

C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(C(F)(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
SCHEMBL195549 0.91 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL12128303 0.90 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL247172 0.90 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL5692365 0.88 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL517397 0.88 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL711930 0.88 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL19075469 0.87 TSHR (0.41) TSHRTHRB
SCHEMBL248147 0.87 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL7767146 0.87 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL711903 0.86 TSHR (0.46) 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-20110281085-A1 POLYMER THIN FILM, PATTERNED MEDIA, PRODUCTION METHODS THEREOF, AND SURFACE MODIFYING AGENTS HITACHI, LTD. (JP) 2011-11-17 US disclosed