SCHEMBL4425313

SCHEMBL4425313

CC(C)(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)c1ccc(OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
MAPT P10636 3/20 0.38
PPARG P37231 6/20 0.37
PPARA Q07869 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PPARD Q03181 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STS P08842 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
SCHEMBL4415099 0.95 CA1 (0.41) CA1CA2MAPTPPARGPPARA
SCHEMBL4418034 0.91 GAA (0.41) CA1CA2MAPTPPARGPPARA
SCHEMBL6047046 0.88 CA1 (0.48) CA1CA2MAPTPPARGPPARA
SCHEMBL4421158 0.88 CA1 (0.48) CA1CA2MAPTPPARGPPARA
SCHEMBL6047039 0.88 CA1 (0.48) CA1CA2MAPTPPARGPPARA
SCHEMBL4419675 0.84 CES2 (0.44) CA1CA2MAPTGAACYP1A1
SCHEMBL4416245 0.83 CA1 (0.43) CA1CA2MAPTPPARGPPARA
SCHEMBL4415126 0.81 CA2 (0.41) CA1CA2MAPTL3MBTL1PKM
SCHEMBL4418782 0.78 MAPT (0.47) CA1CA2MAPTGAACYP1A1
SCHEMBL2469082 0.75 ELANE (0.40) CA1CA2MAPTL3MBTL1PKM

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
EP-1392779-B1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA HOLDING INC (CH) 2009-04-22 EP disclosed
EP-1392779-B1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA HOLDING INC (CH) 2009-04-22 EP disclosed
US-20040067311-A1 Fluorinated-photoinitiators in dual cure resins CIBA SPECIALTY CHEMICALS CORP. 2004-04-08 US disclosed