SCHEMBL29065867

SCHEMBL29065867

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 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
SCHEMBL28552988 0.93 TSHR (0.30) TSHR
SCHEMBL1320770 0.82 ALDH1A1 (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL1322853 0.81 ALDH1A1 (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL9719170 0.80 HCAR2 (0.38)
SCHEMBL63733 0.80 TSHR (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL1321115 0.79 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1321396 0.79 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL367167 0.79 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7175294 0.79 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL36390 0.78 TSHR (0.31) TSHRALDH1A1TP53CYP3A4MAPK1

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-116712757-A Organic silicon composition and preparation method thereof 江苏四新科技应用研究所股份有限公司 2023-09-08 CN disclosed