SCHEMBL4421157

SCHEMBL4421157

O=C(O)C1C=C(F)C(F)=C(F)C1(F)C(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL28420795 0.84
SCHEMBL8727326 0.82
SCHEMBL8897975 0.78
SCHEMBL7492357 0.68
SCHEMBL10700147 0.64
SCHEMBL20918212 0.57
SCHEMBL31040651 0.56
SCHEMBL19228714 0.55
SCHEMBL7634701 0.53
SCHEMBL22876717 0.49

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417761-B Industrial continuous production method of 2,3,4, 5-tetrafluorobenzoic acid 福建华药生物技术有限公司 2024-04-02 CN claimed
CN-115417761-A Industrial continuous production method of 2,3,4,5-tetrafluorobenzoic acid 福建华药生物技术有限公司 2022-12-02 CN claimed
CN-110437056-B Method for industrially preparing 2,3,4, 5-tetrafluorobenzoic acid 浙江华基生物技术有限公司 2022-05-06 CN claimed
JP-63295529-A None JP disclosed
CN-118183709-A Method for preparing fluorocarbon material by utilizing hydrothermal-carbonization method 重庆大学锂电及新材料遂宁研究院 2024-06-14 CN disclosed
CN-115417761-B Industrial continuous production method of 2,3,4, 5-tetrafluorobenzoic acid 福建华药生物技术有限公司 2024-04-02 CN disclosed
CN-115417761-A Industrial continuous production method of 2,3,4,5-tetrafluorobenzoic acid 福建华药生物技术有限公司 2022-12-02 CN disclosed
CN-110437056-B Method for industrially preparing 2,3,4, 5-tetrafluorobenzoic acid 浙江华基生物技术有限公司 2022-05-06 CN disclosed
CN-110437056-B Method for industrially preparing 2,3,4, 5-tetrafluorobenzoic acid 浙江华基生物技术有限公司 2022-05-06 CN disclosed
CN-103102262-A Synthesizing method of 2,3,4,5,6-pentafluorobenzoic acid ZHEJIANG HUAJI BIOTECHNOLOGY CO LTD 2013-05-15 CN disclosed
EP-1299343-B1 PRODUCTION METHOD FOR BENZENEDIMETHANOL COMPOUND SHOWA DENKO KK (JP) 2009-01-14 EP disclosed
US-20030171626-A1 Production method for benzenedimethanol compound SHOWA DENKO K.K. (JP) 2003-09-11 US disclosed
EP-1299343-A1 PRODUCTION METHOD FOR BENZENEDIMETHANOL COMPOUND Showa Denko K.K. (JP) 2003-04-09 EP disclosed
WO-2002002504-A1 PRODUCTION METHOD FOR BENZENEDIMETHANOL COMPOUND SHOWA DENKO K.K. (JP) 2002-01-10 WO disclosed
US-H992-H Using copper catalyst in quinoline or n-methyl-2-pyrrolidone OCCIDENTAL CHEMICAL CORPORATION (US) 1991-11-05 US disclosed
EP-0429848-A2 Preparation of 3,4-difluorobenzoic acid by the decarboxylation of 4,5-difluorophthalic anhydride or 4,5-difluorophthalic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1991-06-05 EP disclosed
US-5003103-A Decarboxylation, chlorodenitration, catalysis OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US disclosed
US-4994606-A Decarboxylating 4,5-difluorophthalic anhydride by heating in dimethyl acetamide; nitration, reduction OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-19 US disclosed
US-4937377-A HEATING IN A SOLVENT SELECTED FROM DIMETHYLACETAMIDE, METHYL PYRROLIDONE AND QUINOLINE OCCIDENTAL CHEMICAL CORPORATION (US) 1990-06-26 US disclosed
JP-S63295529-A PRODUCTION OF 2,3,4,5-TETRAFLUOROBENZOIC ACID MITSUBISHI GAS CHEM CO INC 1988-12-01 JP disclosed