⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL432042 | 0.78 | — | — | |
| Trichloroethane SCHEMBL11235795 | 0.76 | TSHR (0.43) | — | |
| Carbon Tetrachloride SCHEMBL19464207 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL11246763 | 0.73 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL28034957 | 0.72 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL28034955 | 0.69 | — | — | |
| SCHEMBL28103493 | 0.69 | — | — | |
| SCHEMBL17685637 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL8878328 | 0.67 | — | — | |
| SCHEMBL186452 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3860967-A1 | PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE AND INTERMEDIATES THEREOF | SRF LIMITED (IN) | 2021-08-11 | — | — | EP | disclosed |
| WO-2020070684-A1 | PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE AND INTERMEDIATES THEREOF | SRF LIMITED (IN) | 2020-04-09 | — | — | WO | disclosed |