⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30910219 | 0.97 | — | — | |
| SCHEMBL27651153 | 0.78 | — | — | |
| SCHEMBL26216799 | 0.75 | — | — | |
| SCHEMBL24050453 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL28005120 | 0.73 | — | — | |
| SCHEMBL6599558 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL6006016 | 0.71 | — | — | |
| SCHEMBL2305861 | 0.71 | — | — | |
| SCHEMBL12853832 | 0.71 | — | — | |
| SCHEMBL28566611 | 0.71 | ALDH1A1 (0.30) | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118515614-A | Synthesis method of difluoro pyrazole acid | 南京大学 | 2024-08-20 | — | — | CN | claimed |
| CN-117447401-B | Synthesis method of difluoro pyrazole acid | 山东国邦药业有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-117500507-A | Phosphorus derivatives as novel SOS1 inhibitors | 拜耳公司 | 2024-02-02 | — | — | CN | claimed |
| CN-117447401-A | Synthesis method of difluoro pyrazole acid | 山东国邦药业有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-109627165-B | Method for co-production of 2-fluoropropionate and ethyl difluoroacetate | 浙江巨化技术中心有限公司 | 2022-06-21 | — | — | CN | claimed |
| WO-2009018116-A1 | PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-02-05 | — | — | WO | claimed |
| US-20090030246-A1 | PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-01-29 | — | — | US | claimed |
| CN-118515614-A | Synthesis method of difluoro pyrazole acid | 南京大学 | 2024-08-20 | — | — | CN | disclosed |
| CN-118515614-A | Synthesis method of difluoro pyrazole acid | 南京大学 | 2024-08-20 | — | — | CN | disclosed |
| CN-118084677-A | Method for continuously preparing tetrafluoroethyl-N, N-dimethylamine | 江西中氟化学材料科技股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084677-A | Method for continuously preparing tetrafluoroethyl-N, N-dimethylamine | 江西中氟化学材料科技股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-117447401-B | Synthesis method of difluoro pyrazole acid | 山东国邦药业有限公司 | 2024-04-19 | — | — | CN | disclosed |
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| US-20090030246-A1 | PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-01-29 | — | — | US | disclosed |
| US-20090030246-A1 | PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-01-29 | — | — | US | disclosed |
| WO-2008049531-A1 | STEREOSELECTIVE ONE STEP FLUORINATION PROCESS FOR THE PREPARATION OF 2-FLUOROPROPIONATE | BAYER CROPSCIENCE AG (DE) | 2008-05-02 | — | — | WO | disclosed |
| US-7355065-B2 | Process for the preparation of 4,4-difluoro-3-oxobutanoic acid esters | SYNGENTA CROP PROTECTION, INC. (US) | 2008-04-08 | — | — | US | disclosed |
| US-20080004465-A1 | Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters | SYNGENTA CROP PROTECTION, INC. | 2008-01-03 | — | — | US | disclosed |
| EP-1765764-A1 | PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS | Syngeta Participations AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006005612-A1 | PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS | SYNGENTA PARTICIPATIONS AG (CH) | 2006-01-19 | — | — | WO | disclosed |