SCHEMBL4418034

SCHEMBL4418034

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(OCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NR1I2 O75469 1/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 4/20 0.35
MAPT P10636 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NR1H2 P55055 1/20 0.34
PPARA Q07869 2/20 0.33
RARB P10826 2/20 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
SCHEMBL4425313 0.91 CA1 (0.47) GAACA1CA2L3MBTL1PPARG
SCHEMBL4415099 0.85 CA1 (0.41) GAACA1CA2L3MBTL1PPARG
SCHEMBL4419675 0.84 CES2 (0.44) GAACA1CA2MAPTCYP1A1
SCHEMBL4415126 0.81 CA2 (0.41) GAACA1CA2L3MBTL1MAPT
SCHEMBL4418782 0.78 MAPT (0.47) GAACA1CA2MAPTCYP1A1
SCHEMBL4421158 0.78 CA1 (0.48) GAACA1CA2L3MBTL1PPARG
SCHEMBL6047046 0.78 CA1 (0.48) GAACA1CA2L3MBTL1PPARG
SCHEMBL6047039 0.78 CA1 (0.48) GAACA1CA2L3MBTL1PPARG
SCHEMBL10005221 0.76 GAA (0.54) GAANR1I2CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL2469082 0.75 ELANE (0.40) GAACA1CA2L3MBTL1MAPT

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
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
EP-1392779-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
WO-2002040602-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-23 WO disclosed