SCHEMBL9510964

SCHEMBL9510964

C=CC(C)OC(=O)C(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL13592944 0.74 TSHR (0.37) TSHR
SCHEMBL31688107 0.74
SCHEMBL21531507 0.73 ABHD6 (0.30)
SCHEMBL4676552 0.73 TSHR (0.35) TSHR
SCHEMBL9512063 0.72 MAPT (0.41) TSHR
SCHEMBL4676371 0.71 TSHR (0.34) TSHR
SCHEMBL4676270 0.71 TSHR (0.34) TSHR
SCHEMBL18697342 0.70
SCHEMBL1352110 0.69 TSHR (0.34) TSHR
SCHEMBL11272370 0.68 TSHR (0.39) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350334-B1 A process for producing fluorine-containing compounds NIPPON MINING CO (JP) 1993-10-27 EP disclosed
US-5126482-A Process for producing fluorine-containing carboxylic acids NIPPON MINING CO., LTD. (JP) 1992-06-30 US disclosed
EP-0350334-A2 A process for producing fluorine-containing compounds NIKKO KYODO CO., LTD. (JP) 1990-01-10 EP disclosed