SCHEMBL97013

SCHEMBL97013

O=[C]OCC(F)(F)F

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
SCHEMBL27029724 0.97
SCHEMBL21634051 0.78 CA1 (0.31)
SCHEMBL3131843 0.77
SCHEMBL3752663 0.77
SCHEMBL3752904 0.77
SCHEMBL3104027 0.77
SCHEMBL22361832 0.76 CA1 (0.30)
SCHEMBL10783467 0.75
SCHEMBL3120722 0.73 MEN1 (0.34)
SCHEMBL5540146 0.73

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 1645 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068519-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 WO claimed
WO-2024068520-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 WO claimed
CN-117105832-A Oxalyl-containing aryl sulfide and preparation method and application thereof 青岛康乔药业集团有限公司 2023-11-24 CN claimed
CN-117062800-A Aryl sulfide and preparation method and application thereof 山东康乔生物科技有限公司 2023-11-14 CN claimed
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US claimed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US claimed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP claimed
CN-111825585-B Aryl sulfide containing benzylamine structure and synthesis method and application thereof 山东康乔生物科技有限公司 2021-12-14 CN claimed
US-20210360919-A1 ARYL SULFIDE COMPRISING BENZYLAMINE, SYNTHESIS METHOD AND APPLICATION THEREOF SHANDONG KANGQIAO BIO-TECHNOLOGY CO., LTD. (CN) 2021-11-25 US claimed
CN-113512029-A Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2021-10-19 CN claimed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP claimed
EP-0395251-A1 Herbicidal sulfonamides ICI AUSTRALIA LIMITED (AU) 1990-10-31 EP claimed
US-4962104-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US claimed
EP-0385775-A1 Herbicidal sulfonamides ICI AUSTRALIA LIMITED (AU) 1990-09-05 EP claimed
EP-0374559-A2 Substituted-2-phenyl-2,2-difluoroethyl thiocarbonates, process for their preparation and their use as herbicides BAYER AG (DE) 1990-06-27 EP claimed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US claimed
US-4699916-A Substituted furazan pesticides BAYER AKTIENGESELLSCHAFT (DE) 1987-10-13 US claimed
EP-0221439-A1 Herbicidal compositions which contain nitrogen-containing heterocycles with arylcarbamoyl radicals, and heterocyclic derivatives with arylcarbamoyl radicals HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-13 EP claimed
EP-0132680-B1 SUBSTITUTED FURAZANS BAYER AG (DE) 1987-01-28 EP claimed
EP-0132680-A1 Substituted furazans BAYER AG (DE) 1985-02-13 EP claimed