SCHEMBL22443243

SCHEMBL22443243

Cc1nn(C)c(-c2c(C(=O)c3ccc(C(F)(F)F)cc3S(C)(=O)=O)c(C)nn2C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
NR1I2 O75469 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
MCL1 Q07820 1/20 0.36
SCN9A Q15858 2/20 0.36
SORT1 Q99523 4/20 0.35
DHODH Q02127 1/20 0.35
PTGER4 P35408 2/20 0.35
USP2 O75604 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL31063769 0.86 KDM4C (0.36) CACNA1BNR1I2KDM4EALDH1A1HPGD
SCHEMBL29396817 0.86 CACNA1B (0.37) CACNA1BNR1I2KDM4EALDH1A1HPGD
SCHEMBL119221 0.86 CACNA1B (0.41) CACNA1BNR1I2KDM4EALDH1A1HPGD
SCHEMBL5080803 0.85 CACNA1B (0.41) CACNA1BNR1I2KDM4EALDH1A1HPGD
SCHEMBL5077281 0.85 CACNA1B (0.41) CACNA1BNR1I2KDM4EALDH1A1HPGD
SCHEMBL30026800 0.82 SLC6A9 (0.39) KDM4EALDH1A1HPGDHSD17B10KDM4C
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927051 0.79 KDM4E (0.40) CACNA1BNR1I2KDM4EALDH1A1HPGD
SCHEMBL21169029 0.77 CACNA1B (0.36) CACNA1BNR1I2PTGDR2MCL1PTGER4
SCHEMBL29695895 0.77 CACNA1B (0.36) CACNA1BNR1I2PTGDR2MCL1PTGER4
SCHEMBL1965010 0.77 CACNA1B (0.38) CACNA1BNR1I2PTGDR2PTGER4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025078128-A1 PYRIDAZIN-3-ONE-4-YLOXADIAZINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-04-17 WO disclosed
CN-115484824-B Compound combination having excellent herbicidal activity 拜耳公司 2025-04-04 CN disclosed
EP-4521922-A1 LOW DRIFT AQUEOUS LIQUID FORMULATIONS FOR LOW, MEDIUM, AND HIGH SPRAY VOLUME APPLICATION Bayer Aktiengesellschaft (DE) 2025-03-19 EP disclosed
WO-2025031668-A1 AZAHETEROBIARYL-SUBSTITUTED 4,5-DIHYDRO-1H-2,4,5-OXADIAZINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-02-13 WO disclosed
WO-2025032038-A1 PYRIDAZIN-4-YLOXADIAZINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-02-13 WO disclosed
CN-119233755-A Low drift aqueous liquid formulations for low, medium and high spray applications 拜耳公司 2024-12-31 CN disclosed
EP-4232443-B1 1-(PYRIDYL)-5-AZINYLPYRAZOL DERIVATIVES AND USE OF SAME FOR COMBATING UNDESIRED PLANT GROWTH BAYER AG (DE) 2024-12-18 EP disclosed
EP-4441049-A1 BIS(HETERO)ARYL THIOETHER OXADIAZINES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2024-10-09 EP disclosed
EP-4426677-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2024-09-11 EP disclosed
CN-114071999-B 1-Phenyl-5-azinylpyrazolyl-3-oxyalkyl acids and their use for controlling unwanted plant growth 拜耳公司 2024-08-27 CN disclosed
CN-114025609-A High spread ULV formulations for herbicides 拜耳公司 2022-02-08 CN disclosed
EP-3938348-A1 NOVEL 3-(2-BROM-4-ALKYNYL-6-ALKOXYPHENYL)-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
EP-3938347-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
EP-3938349-A1 SPECIFICALLY SUBSTITUTED 3-(2-ALKOXY-6-ALKYL-4-PROPINYLPHENYL)-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
EP-3927695-A1 HERBICIDALLY ACTIVE 4-(4-TRIFLUORMETHYL-6-CYCLOROPYLPYRAZOLYL)PYRIMIDINES Bayer Aktiengesellschaft (DE) 2021-12-29 EP disclosed
CN-113631038-A Herbicidally active 3-phenylisoxazoline-5-carboxamides containing S-cyclopentenylcarboxylates 拜耳公司 2021-11-09 CN disclosed
WO-2020245044-A1 1-PHENYL-5-AZINYL PYRAZOLYL-3-OXYALKYL ACIDS AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2020-12-10 WO disclosed
WO-2020187628-A1 SPECIFICALLY SUBSTITUTED 3-(2-ALKOXY-6-ALKYL-4-PROPINYLPHENYL)-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-24 WO disclosed
WO-2020187626-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-24 WO disclosed
WO-2020187627-A1 NOVEL 3-(2-BROM-4-ALKYNYL-6-ALKOXYPHENYL)-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-24 WO disclosed