SCHEMBL27436685

SCHEMBL27436685

O=C(CC(F)(F)F)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
NAAA Q02083 2/20 0.47
HTT P42858 2/20 0.46
EPHX1 P07099 2/20 0.46
CYP19A1 P11511 3/20 0.44
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GPR35 Q9HC97 2/20 0.36
EPHX2 P34913 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2625608 0.83 CYP2C19 (0.45) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL2625641 0.83 EPHX1 (0.46) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL291275 0.80 NAAA (0.51) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL28103535 0.78 NAAA (0.50) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL4867072 0.78 CYP2C19 (0.38) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL5164213 0.77 CYP2C19 (0.46) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL11754234 0.77 CYP2C19 (0.46) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL31635505 0.77 CYP2C19 (0.46) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL22745718 0.77 CYP2C19 (0.46) CYP2C19NAAAHTTEPHX1CYP19A1
SCHEMBL31635506 0.77 CYP2C19 (0.46) CYP2C19NAAAHTTEPHX1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12032290-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-07-09 US disclosed
CN-111943848-B Preparation method and application of elexacator intermediate 苏州旺山旺水生物医药有限公司 2023-05-05 CN disclosed
CN-111943848-A Preparation method and application of elexacator intermediate 苏州旺山旺水生物医药有限公司 2020-11-17 CN disclosed