SCHEMBL8574571

SCHEMBL8574571

CC(Oc1ccc(Oc2ncccc2C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
FPR2 P25090 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX3 P56373 1/20 0.46
DRD1 P21728 2/20 0.43

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
SCHEMBL10839720 0.90 CYP1A2 (0.45) SCN9AFPR2ALDH1A1MAPTATM
SCHEMBL27514961 0.88 MAPT (0.51) SCN9AFPR2ALDH1A1MAPTATM
SCHEMBL30783187 0.87 DHODH (0.42) SCN9AFPR2CYP1A2GAACYP2C9
SCHEMBL7934892 0.85 KMT2A (0.50) SCN9AFPR2ALDH1A1MAPTATM
SCHEMBL9288884 0.83 CYP1A2 (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10689404 0.81 SMN1; SMN2 (0.48) ALDH1A1MAPTATMCYP1A2GAA
SCHEMBL4318313 0.80 ALDH1A1 (0.54) SCN9AFPR2ALDH1A1MAPTATM
SCHEMBL11344595 0.80 L3MBTL1 (0.50) SCN9ACYP1A2GAACYP2C9PKM
SCHEMBL11151598 0.79 CYP1A2 (0.55) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11346761 0.78 SCN9A (0.49) SCN9AFPR2ALDH1A1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62273954-A None JP disclosed
US-5787686-A CONTAINING WATER INSOLUBLE AGRICULTURE PESTICIDE THE DOW CHEMICAL COMPANY (US) 1998-08-04 US disclosed
US-5753766-A Amphipathic graft copolymers and copolymer compositions and methods of making THE DOW CHEMICAL COMPANY (US) 1998-05-19 US disclosed
US-5753248-A Amphipathic graft copolymer pesticide formulation compositions and methods of their use THE DOW CHEMICAL COMPANY (US) 1998-05-19 US disclosed
EP-0766705-B1 PREPARATION OF AMPHIPATHIC GRAFT COPOLYMERS, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE DOW CHEMICAL CO (US) 1998-05-13 EP disclosed
US-5693716-A Amphipathic graft copolymers and copolymer compositions and methods of making THE DOW CHEMICAL COMPANY (US) 1997-12-02 US disclosed
EP-0766705-A1 PREPARATION OF AMPHIPATHIC GRAFT COPOLYMERS, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE THE DOW CHEMICAL COMPANY (US) 1997-04-09 EP disclosed
US-5508035-A CONTAINING REACTIVE POLYMERIC SURFACTANT GRAFT POLYMER AND COSOLVENT DOWELANCO (US) 1996-04-16 US disclosed
WO-1996000251-A1 NOVEL AMPHIPATHIC GRAFT COPOLYMERS, THEIR PREPARATION, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE THE DOW CHEMICAL COMPANY (US) 1996-01-04 WO disclosed
JP-S62273954-A HYDROXYACETIC ACID AMIDE DERIVATIVE AGURO KANESHO KK 1987-11-28 JP disclosed
US-4681941-A Method of preparing esters of aryloxyphenoxy propanoic acid THE DOW CHEMICAL COMPANY (US) 1987-07-21 US disclosed
EP-0128658-B1 IMPROVED METHOD OF PREPARING ESTERS OF ARYLOXYPHENOXY PROPANOIC ACID THE DOW CHEMICAL COMPANY (US) 1987-06-16 EP disclosed
US-4545807-A Oxime ester herbicides HOFFMANN-LA ROCHE INC. (US) 1985-10-08 US disclosed
EP-0128658-A1 Improved method of preparing esters of aryloxyphenoxy propanoic acid THE DOW CHEMICAL COMPANY (US) 1984-12-19 EP disclosed
US-4435207-A Quinyloxy-phenyloxy-oxime ester compounds having herbicidal activity HOFFMANN-LA ROCHE INC. (US) 1984-03-06 US disclosed