SCHEMBL25015293

SCHEMBL25015293

CCCCOP(=O)(OCc1ccccc1)OCC(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.48
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4948490 0.89 CYP3A4 (0.59) CETPCYP3A4TSHRALDH1A1MAPK1
SCHEMBL7917113 0.89 CYP3A4 (0.59) CETPCYP3A4TSHRALDH1A1MAPK1
SCHEMBL4946336 0.83 CETP (0.63) CETPCYP3A4TSHR
SCHEMBL4948692 0.83 CETP (0.63) CETPCYP3A4TSHR
SCHEMBL4948131 0.83 CETP (0.63) CETPCYP3A4TSHR
SCHEMBL4948716 0.83 CETP (0.63) CETPCYP3A4TSHR
SCHEMBL5963416 0.82 CYP3A4 (0.68) CYP3A4TSHR
SCHEMBL25015131 0.82 CYP3A4 (0.68) CYP3A4TSHR
SCHEMBL27937449 0.80 CETP (0.56) CETPCYP3A4TSHRALDH1A1MAPK1
SCHEMBL3345889 0.79 MEN1 (0.55) CETPCYP3A4TSHRALDH1A1MAPK1

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
WO-2023004130-A1 METHODS FOR PREPARING BISPHOSPHOCINS Lakewood Amedex, Inc. (US) 2023-01-26 WO disclosed