SCHEMBL9147206

SCHEMBL9147206

O=C(O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
USP2 O75604 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.47
NR4A2 P43354 5/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
ALDH1A1 P00352 3/20 0.43
PLA2G4B P0C869 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9141748 1.00 TSHR (0.57) TSHRUSP2MAPTPKMNR4A2
SCHEMBL25790173 0.98 TSHR (0.55) TSHRUSP2MAPTPKMNR4A2
SCHEMBL9143125 0.94 TSHR (0.52) TSHRUSP2MAPTPKMNR4A2
SCHEMBL9190155 0.89 TSHR (0.49) TSHRUSP2MAPTPKMNR4A2
SCHEMBL9576637 0.89 MAPT (0.58) TSHRUSP2MAPTALDH1A1SRD5A2
SCHEMBL9578562 0.87 PKM (0.53) TSHRUSP2MAPTPKMNR4A2
SCHEMBL9147011 0.86 MAPT (0.56) TSHRUSP2MAPTPKMNR4A2
SCHEMBL9143135 0.85 TSHR (0.78) TSHRUSP2MAPTPKMNR4A2
SCHEMBL25788227 0.84 TSHR (0.50) TSHRUSP2MAPTPKMNR4A2
SCHEMBL22721373 0.84 USP2 (0.72) TSHRUSP2MAPTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
EP-0360521-B1 Achiral fluorine-containing liquid crystals MINNESOTA MINING & MFG (US) 1993-11-24 EP disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-5082587-A ACHIRAL FLUORINE-CONTAINING LIQUID CRYSTALS 3M INNOVATIVE PROPERTIES COMPANY 1992-01-21 US disclosed
EP-0360521-A2 Achiral fluorine-containing liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-03-28 EP disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed
EP-0255236-A2 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-03 EP disclosed