SCHEMBL7092585

SCHEMBL7092585

Cc1ccc(S(=O)(=O)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 2/20 0.35
KMT2A Q03164 5/20 0.34
PKM P14618 3/20 0.34
PAX8 Q06710 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 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
SCHEMBL7754438 0.77 PSMD10 (0.37) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL7756827 0.75 ALDH1A1 (0.47) ALDH1A1CYP2C19CYP3A4CYP2C9TP53
SCHEMBL9105046 0.72 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL7035419 0.72 CA2 (0.36) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL7529224 0.72 STAT3 (0.34) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL4335889 0.72 CA2 (0.39) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL8218945 0.70 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL17997014 0.70 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL5365715 0.70 CA1 (0.39) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL5369470 0.70 CA1 (0.39) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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-0868501-B1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING & MFG (US) 2003-08-13 EP disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
EP-0868501-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-07 EP disclosed
US-5658491-A CONTROLLING BRIGHTNESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US disclosed
WO-1997013822-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-17 WO disclosed