⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11812828 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL971096 | 0.71 | — | — | |
| SCHEMBL5749399 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL1618588 | 0.69 | CA2 (0.53) | — | |
| SCHEMBL970099 | 0.69 | — | — | |
| SCHEMBL6970926 | 0.69 | — | — | |
| SCHEMBL970097 | 0.69 | — | — | |
| SCHEMBL3273375 | 0.69 | — | — | |
| SCHEMBL28996015 | 0.67 | CA2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL27556276 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114072000-A | Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |
| EP-3883920-A1 | N-TRIFLUORMETHYLCARBONYL COMPOUNDS AND METHODS FOR THEIR SYNTHESIS | Rheinisch-Westfälische Technische Hochschule (RWTH) Aachen (DE) | 2021-09-29 | — | — | EP | disclosed |
| US-5229525-A | METHOD FOR PREPARING PERFLUORO-OXAZIRIDINES | AUSIMONT S.P.A. (IT) | 1993-07-20 | — | — | US | disclosed |