⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74788 | 0.95 | — | — | |
| Water SCHEMBL379637 | 0.90 | — | — | |
| SCHEMBL5004 | 0.90 | — | — | |
| SCHEMBL28522698 | 0.90 | — | — | |
| Formic Acid SCHEMBL31235515 | 0.82 | — | — | |
| SCHEMBL17255905 | 0.73 | AKR1B1 (0.45) | — | |
| SCHEMBL3302057 | 0.70 | — | — | |
| SCHEMBL9045911 | 0.70 | — | — | |
| SCHEMBL27967099 | 0.70 | — | — | |
| SCHEMBL8261491 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109937196-B | Method for producing 1-chloro-2, 3, 3-trifluoropropene | ＡＧＣ株式会社 | 2022-08-16 | — | — | CN | disclosed |
| CN-110023272-B | Method for producing 1-chloro-2, 3, 3-trifluoropropene | ＡＧＣ株式会社 | 2022-08-12 | — | — | CN | disclosed |