SCHEMBL1019991

SCHEMBL1019991

O=C(Cl)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.58
CA2 P00918 11/20 0.58
CA4 P22748 2/20 0.58
CES2 O00748 5/20 0.44
CES1 P23141 5/20 0.44
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
CA9 Q16790 8/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL17322555 0.86 CA1 (0.45) CA1CA2CA4CES2CES1
SCHEMBL9504878 0.85 CA1 (0.48) CA1CA2CA4CES2CES1
SCHEMBL996758 0.80 CES2 (0.43) CA1CA2CA4CES2CES1
SCHEMBL2295776 0.80 ALDH1A1 (0.39) CA1CA2CA4CES2CES1
SCHEMBL30417635 0.80 CA1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL5506097 0.80 CA1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL11060970 0.79 ALDH1A1 (0.48) CA1CA2CA4CES2CES1
SCHEMBL1657 0.77 CES2 (0.48) CA1CA2CA4CES2CES1
SCHEMBL1022860 0.77 CES2 (0.46) CA1CA2CA4CES2CES1
SCHEMBL8072641 0.77 ALDH1A1 (0.43) CA1CA2CA4CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290401-A Fluorine-containing crosslinking agent and preparation method thereof 合肥安邦化工有限公司 2024-07-05 CN claimed
CN-115259996-B Synthesis method of 2,3,5, 6-tetrafluorobenzyl alcohol 浙江中欣氟材股份有限公司 2024-02-02 CN claimed
CN-115259996-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2022-11-01 CN claimed
CN-113292399-B Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2021-11-26 CN claimed
CN-113292399-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2021-08-24 CN claimed
WO-1997040007-A1 2,3,5,6-TETRAFLUOROBENZOIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO claimed
CN-118290401-A Fluorine-containing crosslinking agent and preparation method thereof 合肥安邦化工有限公司 2024-07-05 CN disclosed
CN-115259996-B Synthesis method of 2,3,5, 6-tetrafluorobenzyl alcohol 浙江中欣氟材股份有限公司 2024-02-02 CN disclosed
CN-115259996-B Synthesis method of 2,3,5, 6-tetrafluorobenzyl alcohol 浙江中欣氟材股份有限公司 2024-02-02 CN disclosed
CN-114751807-B Preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2023-08-22 CN disclosed
CN-115259996-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2022-11-01 CN disclosed
CN-115259996-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2022-11-01 CN disclosed
CN-114751807-A Novel efficient preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2022-07-15 CN disclosed
EP-0730592-A1 DERIVATIVES OF 2,3,5,6-TETRAFLUOROBENZOIC ACID AND THEIR USE IN COMBATING PESTS BAYER AG (DE) 1996-09-11 EP disclosed
WO-1996023758-A1 PROCESS FOR PREPARING NUCLEUS-HALOGENATED BENZOYL CHLORIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-08 WO disclosed
WO-1995019350-A1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO disclosed
WO-1995014688-A1 DERIVATIVES OF 2,3,5,6-TETRAFLUOROBENZOIC ACID AND THEIR USE IN COMBATING PESTS BAYER AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
EP-0266947-B1 HALOGENATED ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4853414-A 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-01 US disclosed
EP-0266947-A2 Halogenated esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed