SCHEMBL8037245

SCHEMBL8037245

O=C(O)c1cc(C(F)(F)C(F)(F)F)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.40
▸ CES2 O00748 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NOTUM Q6P988 3/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LIPC P11150 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ TAS2R14 Q9NYV8 3/20 0.32
▸ CFTR P13569 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ GRIK1 P39086 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ SORT1 Q99523 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
SCHEMBL8037311 0.87 CES2 (0.47) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL1098875 0.78 ASPH (0.44) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL29404413 0.78 ASPH (0.44) ASPHCES2KDM4EALDH1A1HPGD
Water SCHEMBL25435119 0.77 ASPH (0.43) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL1635186 0.76 ASPH (0.46) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL3369693 0.75 CES2 (0.48) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL3194800 0.75 ASPH (0.42) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL28155006 0.74 ASPH (0.37) ASPHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8921785 0.74 LDHA (0.39) ASPHCES2RXRARXRBRXRG
SCHEMBL3176700 0.74 ASPH (0.41) ASPHCES2KDM4EALDH1A1HPGD

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-6060615-A Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-09 — — US disclosed
US-5981130-A Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-09 — — US disclosed
EP-0881545-A1 Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-02 — — EP disclosed
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