SCHEMBL3872271

SCHEMBL3872271

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
BCHE P06276 1/20 0.39
SLC22A12 Q96S37 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA5A P35218 1/20 0.34
KAT6A Q92794 3/20 0.34
HSD11B1 P28845 1/20 0.33
KCNN4 O15554 2/20 0.33
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
CA12 O43570 1/20 0.32
PTGS2 P35354 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL10675609 0.84 PTPN1 (0.43) PTPN1CES2CES1SLC22A12CA1
SCHEMBL15754654 0.82 CES2 (0.41) PTPN1CES2CES1BCHESLC22A12
SCHEMBL2952551 0.82 CES2 (0.38) PTPN1CES2CES1CA1CA2
SCHEMBL3882398 0.81 CES2 (0.37) PTPN1CES2CES1BCHESLC22A12
SCHEMBL3877549 0.78 PTPN1 (0.46) PTPN1CES2CES1BCHESLC22A12
SCHEMBL29133498 0.78 CES2 (0.34) PTPN1CES2CES1BCHESLC22A12
SCHEMBL27697830 0.74 SLC22A12 (0.44) CES2CES1BCHESLC22A12CA1
SCHEMBL11591168 0.73 PTPN1 (0.41) PTPN1CES1CA1CA2CA9
SCHEMBL1201504 0.73 CES2 (0.41) CES2CES1BCHECA2HSD11B1
SCHEMBL2965656 0.73 CES2 (0.41) CES2CES1BCHECA2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
CN-1524006-A Ionic liquids as selective additives for separation of near-boiling or azeotropic mixtures �����ɷ� 2004-08-25 CN disclosed