SCHEMBL6898256

SCHEMBL6898256

CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)F)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
ALOX15 P16050 4/20 0.47
HSD17B10 Q99714 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
MIF P14174 1/20 0.47
TYR P14679 1/20 0.47
HTT P42858 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.37
GAA P10253 3/20 0.37

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
SCHEMBL9861813 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL102484 0.78 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL23174675 0.77 HSD17B1 (0.35) ALDH1A1ALOX15HSD17B10LMNAKDM4E
SCHEMBL17300225 0.77 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL6898263 0.77 ALDH1A1 (0.47) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL1244478 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10LMNAHTT
SCHEMBL29364103 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL109921 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL3859151 0.74 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10NR1I2LMNA
Hydrochloric Acid SCHEMBL4359705 0.74 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10NR1I2LMNA

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
EP-0902806-B1 FLUOROELASTOMER COMPOSITIONS DYNEON LLC (US) 2004-07-14 EP disclosed
EP-0833857-B1 IMPROVED SCORCH SAFETY OF CURABLE FLUOROELASTOMER COMPOSITIONS DYNEON LLC (US) 2002-07-24 EP disclosed
EP-0902807-B1 FLUOROELASTOMER COMPOSITIONS CONTAINING ORGANO-ONIUM COMPOUNDS DYNEON LLC (US) 2001-12-19 EP disclosed
US-5756588-A CURABLE COMPOSITION COMPRISING FLUOROPOLYMER, AROMATIC POLYHYDROXY CROSSLINKING AGENT, ORGANO-ONIUM COMPOUND, MONOHYDROXYFUNCTIONAL PHENOL CAPABLE OF DELAYING POST-COMPOUNDING INITIATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-26 US disclosed
US-5681881-A LOW TEMPERATURE FLEXIBILITY; AUTOMOTIVE FUEL LINES, GASKETS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-28 US disclosed
US-5654375-A INJECTION MOLDING MATERIALS HAVING LATENT CURE INITIATION; NONSCORCHING, SHELF STABILITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-05 US disclosed