SCHEMBL28899231

SCHEMBL28899231

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2887866 0.80 HTT (0.35) HTTTSHRALDH1A1HSD17B10
SCHEMBL2302416 0.78 HTT (0.37) HTTTSHRALDH1A1HSD17B10
SCHEMBL9576143 0.78 HTT (0.31) HTTTSHR
SCHEMBL36259 0.76 TSHR (0.44) HTTTSHRALDH1A1
Methacrylic Acid SCHEMBL28908234 0.76 ALDH1A1 (0.40) TSHRALDH1A1HSD17B10
SCHEMBL14577296 0.75 ALDH1A1 (0.36) HTTTSHRALDH1A1HSD17B10
SCHEMBL372552 0.74 ALDH1A1 (0.48) HTTTSHRALDH1A1HSD17B10
SCHEMBL9696623 0.74 HTT (0.32) HTT
SCHEMBL9578387 0.74
Acrylic Acid SCHEMBL19995631 0.74 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10

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
CN-111542348-A Material for intraocular lens 株式会社目立康 2020-08-14 CN disclosed