SCHEMBL22044181

SCHEMBL22044181

COOC(=O)c1c(O)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
AKT1 P31749 1/20 0.37
CES2 O00748 3/20 0.37
CFTR P13569 2/20 0.35
P2RX1 P51575 2/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
GPR35 Q9HC97 2/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SLC6A9 P48067 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL22043721 0.76 CES2 (0.43) AKT1CES2P2RX1GPR35ALDH1A1
SCHEMBL23231573 0.73 CFTR (0.53) NOTUMCES2CFTRP2RX1TMPRSS4
SCHEMBL19541391 0.73 NOTUM (0.62) NOTUMCES2CFTRP2RX1GPR35
SCHEMBL8572333 0.71 CFTR (0.58) NOTUMCES2CFTRGPR35ALDH1A1
SCHEMBL26488245 0.71 NOTUM (0.47) NOTUMCFTRP2RX1TMPRSS4GPR35
SCHEMBL30628783 0.70 CES2 (0.47) NOTUMCES2GPR35CYP3A4
SCHEMBL21367459 0.70 CFTR (0.49) NOTUMCES2CFTRP2RX1TMPRSS4
SCHEMBL425494 0.70 NOTUM (0.46) NOTUMCFTRP2RX1TMPRSS4GPR35
SCHEMBL31031798 0.69 CES2 (0.43) NOTUMCES2CFTRGPR35
SCHEMBL31031802 0.69 CES2 (0.43) NOTUMCES2CFTRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11586111-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2023-02-21 US disclosed
US-20200174369-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2020-06-04 US disclosed