SCHEMBL8304645

SCHEMBL8304645

O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 1/20 0.64
TTR P02766 1/20 0.64
PPOX P50336 1/20 0.64
KMT2A Q03164 1/20 0.64
MRGPRX4 Q96LA9 6/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CCR1 P32246 1/20 0.48
CCR2 P41597 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
FFAR1 O14842 3/20 0.46

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
SCHEMBL30539397 1.00 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9863812 1.00 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL27592434 0.99 TDP1 (0.63) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11365185 0.92 TDP1 (0.54) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11029175 0.91 TDP1 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11168463 0.87 TDP1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8306962 0.85 MRGPRX4 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9378425 0.84 TDP1 (0.50) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10585649 0.84 ALDH1A1 (0.53) TDP1MEN1TTRKMT2AMRGPRX4
SCHEMBL10924171 0.84 CCR1 (0.60) TDP1MEN1TTRPPOXKMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516085-A Synthesis method of 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid JIANGSU CHANGQING AGROCHEMICAL CO LTD 2012-06-27 CN claimed
US-4485254-A Process for preparing phenoxybenzoic acids ROHM AND HAAS COMPANY (US) 1984-11-27 US claimed
US-4405805-A ACIFLUORFEN, XYLENE EXTRACTION RHONE-POULENC, INC. (US) 1983-09-20 US claimed
CN-115885985-A Aqueous suspension concentrates FMC公司 2023-04-04 CN disclosed
CN-111225565-B Aqueous suspension concentrates FMC公司 2023-01-31 CN disclosed
US-5939602-A GENETICALLY ENGINEERED PLANTS EXPRESSING HERBICIDE TOLERANT PROTOX ENZYMES NOVARTIS FINANCE CORPORATION (US) 1999-08-17 US disclosed
US-5872077-A COMPOUNDS FOR CONTROLLING RICE, SOYA AND CROPS HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed
US-H1785-H PRE- AND POST-EMERGENCE HERBICIDE FMC CORPORATION (US) 1999-02-02 US disclosed
US-5861359-A WHEAT, SOYBEANS, CORN; PRE- AND POSTEMERGENCE HERBICIDES FMC CORPORATION (US) 1999-01-19 US disclosed
US-H1759-H NEW HERBICIDE MOLECULAR COMPRISING A RING SELECT FROM THE GROUP OF PYRIMIDINE, TRIAZOLE, PYRAZOLE, ISOINDOLE, THIADIAZOLO(3,4-A)PYRIDAZINE, TRIAZINE(1,2,4), INDAZOLE, TETRAZOLE, TRIAZOLE(4,3-A)PYRIDINE FMC CORPORATION (US) 1998-11-03 US disclosed
US-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed
US-5696056-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES; POTENTIATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
US-5683966-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1997-11-04 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
EP-0706993-A1 Method of purifying acifluorfen BASF Corporation (US) 1996-04-17 EP disclosed
US-5446197-A Dissolving in 1,2-dichlorobenzene solvent, recrystallization BASF CORPORATION (US) 1995-08-29 US disclosed
US-5076830-A INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1991-12-31 US disclosed
EP-0378985-A1 Improved glyphosate formulations MONSANTO COMPANY (US) 1990-07-25 EP disclosed
US-4874846-A Process for the preparation of aryloxybenzoic acids containing a sulfonamide group RHONE-POULENC AGROCHIMIE S.A. (FR) 1989-10-17 US disclosed
US-4627870-A Certain phenoxy-benzamido-diphenyl-phosphonate esters having herbicidal activity STAUFFER CHEMICAL COMPANY (US) 1986-12-09 US disclosed