SCHEMBL28070239

SCHEMBL28070239

O=C(O)c1ccc(C(F)(F)C(F)F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
SORT1 Q99523 14/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL10951073 0.85 HSD17B10 (0.49) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL21631883 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL8178518 0.82 HSD17B10 (0.46) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL4261425 0.82 HSD17B10 (0.53) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL16626112 0.82 HSD17B10 (0.53) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL460066 0.82 KDM4E (0.69) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL873525 0.81 HSD17B10 (0.46) ALDH1A1HSD17B10KDM4EHPGDSORT1
SCHEMBL1855906 0.81 HSD17B10 (0.46) ALDH1A1HSD17B10KDM4EHPGDSORT1
Water SCHEMBL8588312 0.80 HSD17B10 (0.45) ALDH1A1HSD17B10KDM4EHPGDSORT1
Hydrochloric Acid SCHEMBL28444884 0.80 HSD17B10 (0.45) ALDH1A1HSD17B10KDM4EHPGDSORT1

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
CN-112047913-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2020-12-08 CN disclosed
CN-111961068-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2020-11-20 CN disclosed
CN-105683200-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2016-06-15 CN disclosed