SCHEMBL9145702

SCHEMBL9145702

O=C(O)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
TSHR P16473 1/20 0.45
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MRGPRX4 Q96LA9 8/20 0.41
KMO O15229 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL9578550 1.00 TTR (0.46) TTRTSHRPDK1PDK2PDK3
SCHEMBL9578538 0.89 TTR (0.34) TTRPDK1PDK2PDK3PDK4
SCHEMBL9142401 0.82 CA12 (0.59) TTRTSHRMRGPRX4RAB9ALMNA
SCHEMBL403102 0.82 KMO (0.53) TTRTSHRPDK1PDK2PDK3
SCHEMBL9578540 0.80 MRGPRX4 (0.47) TSHRMRGPRX4RAB9ALMNAHTT
SCHEMBL9145689 0.80 MRGPRX4 (0.47) TSHRMRGPRX4RAB9ALMNAHTT
SCHEMBL9145697 0.79 TSHR (0.41) TTRTSHRPDK1PDK2PDK3
SCHEMBL9578546 0.79 TSHR (0.41) TTRTSHRPDK1PDK2PDK3
SCHEMBL9143147 0.75 TSHR (0.53) TSHRMRGPRX4CA1CA2
SCHEMBL9147217 0.75 TSHR (0.53) TSHRMRGPRX4CA1CA2

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