SCHEMBL3869667

SCHEMBL3869667

O=S(=O)(O)C(F)(F)Cc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RIPK1 Q13546 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
DAO P14920 4/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NAMPT P43490 1/20 0.32
MAPK8 P45983 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PTPN1 P18031 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
SCHEMBL384179 0.76 PTPN1 (0.44) PTPN1
SCHEMBL3869690 0.76 IDO1 (0.33) CES2CES1PTGS2PTPN1
SCHEMBL3873869 0.74 KIF11 (0.47) ALDH1A1CES2CES1
SCHEMBL3870948 0.74 PSEN1 (0.44) RIPK1CES2CES1MAPK8PTPN1
SCHEMBL3872272 0.73 CES1 (0.44) ALDH1A1CES1PTPN1
SCHEMBL29010102 0.73 RIPK1 (0.42) HTTALDH1A1RIPK1MAOAMAOB
Hydrochloric Acid SCHEMBL28163857 0.72 MAOB (0.38) HTTALDH1A1RIPK1MAOAMAOB
SCHEMBL3877025 0.70 PTPN1 (0.36) ALDH1A1CES2CES1PTPN1
SCHEMBL3870719 0.70 IDO1 (0.41) RIPK1MAOBCES2CES1DAO
SCHEMBL565080 0.69 RIPK1 (0.45) HTTALDH1A1RIPK1MAOAMAOB

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 5 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