SCHEMBL9587235

SCHEMBL9587235

CCC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 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
SCHEMBL10044217 0.83
SCHEMBL9588735 0.83 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL18927795 0.76
SCHEMBL9999735 0.76 USP2 (0.35) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL9588106 0.76 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL13096919 0.76 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL14492286 0.75 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL25979523 0.75 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL25979527 0.75 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL3418029 0.74 MAPT (0.45) CYP1A2CYP2C19CYP2C9RECQLUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077114-B1 PERFLUOROCHEMICALS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS BLOOD SUBSTITUTES GREEN CROSS CORPORATION (JP) 1987-12-02 EP claimed
EP-0077114-A1 Perfluorochemicals, process for preparing the same and their use as blood substitutes GREEN CROSS CORPORATION (JP) 1983-04-20 EP claimed
US-5214214-A Blood substitute THE GREEN CROSS CORPORATION (JP) 1993-05-25 US disclosed
US-4943595-A PERFLUOROALKYL ETHERS, BLOOD SUBSTITUTES THE GREEN CROSS CORPORATION (JP) 1990-07-24 US disclosed
EP-0077114-B1 PERFLUOROCHEMICALS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS BLOOD SUBSTITUTES GREEN CROSS CORPORATION (JP) 1987-12-02 EP disclosed
EP-0077114-A1 Perfluorochemicals, process for preparing the same and their use as blood substitutes GREEN CROSS CORPORATION (JP) 1983-04-20 EP disclosed