SCHEMBL9821906

SCHEMBL9821906

CC(Oc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 3/20 0.58
LIPE Q05469 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
FFAR1 O14842 1/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL10692045 0.90 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19HPGDLIPE
SCHEMBL10689409 0.87 KMT2A (0.47) CYP1A2CYP3A4CYP2C19HPGDLIPE
SCHEMBL10710496 0.87 KMT2A (0.47) CYP1A2CYP3A4CYP2C19HPGDLIPE
Haloxyfop SCHEMBL33627 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA
Haloxyfop SCHEMBL29426466 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA
Haloxyfop SCHEMBL3675562 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA
Haloxyfop SCHEMBL29792114 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA
Haloxyfop-R-Methyl SCHEMBL119996 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA
Haloxyfop-R-Methyl SCHEMBL29730427 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA
Haloxyfop SCHEMBL9140176 0.85 SMN1; SMN2 (0.65) HPGDLIPESMN1; SMN2RAB9ALMNA

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
EP-0109752-B1 SELECTIVE, BROADSPECTRUM WEED CONTROL IN SOYBEANS THE DOW CHEMICAL COMPANY (US) 1988-06-29 EP claimed
EP-0109752-A1 Selective, broadspectrum weed control in soybeans THE DOW CHEMICAL COMPANY (US) 1984-05-30 EP claimed
EP-0246349-B1 METHOD OF SELECTIVELY CHLORINATING 2-CHLORO-5-(TRICHLOROMETHYL) PYRIDINE IN THE 3-POSITION THE DOW CHEMICAL COMPANY (US) 1991-01-23 EP disclosed
EP-0109752-B1 SELECTIVE, BROADSPECTRUM WEED CONTROL IN SOYBEANS THE DOW CHEMICAL COMPANY (US) 1988-06-29 EP disclosed
US-4753673-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-28 US disclosed
EP-0246349-A1 Method of selectively chlorinating 2-chloro-5-(Trichloromethyl) pyridine in the 3-position THE DOW CHEMICAL COMPANY (US) 1987-11-25 EP disclosed
US-4701532-A LIQUID PHASE AT ELEVATED TEMPERATURE AND PRESSURE WITHOUT A CATALYST TO YIELD 2,3-DICHLORO-5-TRICHLOROMETHYLPYRIDINE THE DOW CHEMICAL COMPANY (US) 1987-10-20 US 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-4628099-A INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1986-12-09 US disclosed
US-4523017-A REACTING CHLORIDE SUBSTITUTED PYRIDINE COMPOUND WITH SUBSTITUTED PHENOL COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-06-11 US disclosed
US-4491468-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanenitriles and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-01 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-4479001-A Trifluoromethyl pyridinylthiophenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1984-10-23 US disclosed
EP-0109752-A1 Selective, broadspectrum weed control in soybeans THE DOW CHEMICAL COMPANY (US) 1984-05-30 EP disclosed