⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1143436 | 1.00 | — | — | |
| SCHEMBL2584545 | 1.00 | — | — | |
| Bicarbonate SCHEMBL27133673 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL22278203 | 0.78 | — | — | |
| SCHEMBL25837782 | 0.78 | — | — | |
| SCHEMBL804659 | 0.78 | — | — | |
| SCHEMBL16081351 | 0.78 | — | — | |
| SCHEMBL2585885 | 0.75 | — | — | |
| SCHEMBL20632421 | 0.75 | — | — | |
| SCHEMBL2585889 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11760707-B2 | Process for the synthesis of 2,3,3,3-tetrafluoropropene | FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) | 2023-09-19 | — | — | US | disclosed |
| US-20210139397-A1 | Process for the synthesis of 2,3,3,3-tetrafluoropropene | FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) | 2021-05-13 | — | — | US | disclosed |
| US-9938248-B2 | Method for preparing 3-trifluoromethyl chalcones | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2018-04-10 | — | — | US | disclosed |
| US-9611231-B2 | Method for preparing 3-trifluoromethyl chalcones | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-04-04 | — | — | US | disclosed |