⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8358141 | 0.80 | — | — | |
| SCHEMBL30387935 | 0.77 | — | — | |
| SCHEMBL339701 | 0.73 | — | — | |
| SCHEMBL30388556 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL9861662 | 0.72 | — | — | |
| SCHEMBL652264 | 0.72 | — | — | |
| SCHEMBL20544042 | 0.72 | — | — | |
| SCHEMBL28939826 | 0.69 | — | — | |
| SCHEMBL13147887 | 0.69 | — | — | |
| SCHEMBL37487 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466704-A | Preparation method of 1, 2-dichloro-3, 3-trifluoropropene | 西安近代化学研究所 | 2024-01-30 | — | — | CN | claimed |
| CN-117342922-A | Method for preparing 2, 3-tetrafluoropropene and 1, 3-tetrafluoropropene | 西安近代化学研究所 | 2024-01-05 | — | — | CN | claimed |
| CN-117342926-A | Method for synthesizing trans-1, 2-dichloro-3, 3-trifluoropropene | 西安近代化学研究所 | 2024-01-05 | — | — | CN | claimed |
| CN-117466704-A | Preparation method of 1, 2-dichloro-3, 3-trifluoropropene | 西安近代化学研究所 | 2024-01-30 | — | — | CN | disclosed |
| CN-117466704-A | Preparation method of 1, 2-dichloro-3, 3-trifluoropropene | 西安近代化学研究所 | 2024-01-30 | — | — | CN | disclosed |
| CN-117342922-A | Method for preparing 2, 3-tetrafluoropropene and 1, 3-tetrafluoropropene | 西安近代化学研究所 | 2024-01-05 | — | — | CN | disclosed |
| CN-117342926-A | Method for synthesizing trans-1, 2-dichloro-3, 3-trifluoropropene | 西安近代化学研究所 | 2024-01-05 | — | — | CN | disclosed |
| CN-116120149-B | Method for preparing fluorine-containing alkyne by dehydrohalogenating saturated halogenated hydrocarbon | 北京宇极科技发展有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-116120149-A | Method for preparing fluorine-containing alkyne by dehydrohalogenating saturated halogenated hydrocarbon | 北京宇极科技发展有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-111807923-B | Preparation process of 1, 1-dichloro-3, 3-trifluoropropene | 浙江省化工研究院有限公司 | 2022-11-15 | — | — | CN | disclosed |