SCHEMBL9548406

SCHEMBL9548406

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.34
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL42233 0.86 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21819966 0.85 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL63733 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28358779 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8451861 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL786625 0.81 ALDH1A1 (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5457746 0.81
SCHEMBL2283715 0.81
SCHEMBL36390 0.81 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2327799 0.79 TSHR (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121597-A1 WAVELENGTH CONVERSION MATERIAL AND SOLAR CELL SEALING FILM CONTAINING THE SAME BRIDGESTONE CORPORATION (JP) 2017-05-04 US disclosed
EP-0303036-B1 ELECTRICALLY SUPERCONDUCTING METAL-CERAMIC COATINGS International Business Machines Corporation (US) 1993-05-19 EP disclosed
US-4981840-A FLUOROPOLYMER, SOLVENT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1991-01-01 US disclosed
EP-0303036-A2 Electrically superconducting metal-ceramic coatings International Business Machines Corporation (US) 1989-02-15 EP disclosed