SCHEMBL29133498

SCHEMBL29133498

O=S(=O)(O)C(F)(c1cccc(F)c1F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
PTPN1 P18031 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
KAT6A Q92794 3/20 0.31
HSD11B1 P28845 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL3872271 0.78 PTPN1 (0.42) CES2BCHECES1PTPN1SLC22A12
SCHEMBL15754654 0.75 CES2 (0.41) CES2BCHECES1PTPN1SLC22A12
SCHEMBL3882398 0.75 CES2 (0.37) CES2BCHECES1PTPN1SLC22A12
SCHEMBL27697830 0.68 SLC22A12 (0.44) CES2BCHECES1SLC22A12KAT6A
SCHEMBL24901415 0.67 MEN1 (0.39) CES2BCHECES1HSD11B1
SCHEMBL2965656 0.67 CES2 (0.41) CES2BCHECES1HSD11B1CA2
SCHEMBL1201504 0.67 CES2 (0.41) CES2BCHECES1HSD11B1CA2
SCHEMBL28328900 0.67 CES2 (0.41) CES2BCHECES1SLC22A12HSD11B1
SCHEMBL29287572 0.66 CES2 (0.47) CES2BCHECES1HSD11B1
SCHEMBL10675609 0.66 PTPN1 (0.43) CES2CES1PTPN1SLC22A12KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113785005-B Curing composition 美国圣戈班性能塑料公司 2023-12-12 CN disclosed