⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297295 | 0.91 | — | — | |
| SCHEMBL6210207 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10437348 | 0.86 | — | — | |
| SCHEMBL30990403 | 0.86 | — | — | |
| Fluoride SCHEMBL8072892 | 0.86 | — | — | |
| Iodide SCHEMBL27496596 | 0.86 | — | — | |
| SCHEMBL11707519 | 0.78 | — | — | |
| SCHEMBL10934943 | 0.75 | ALDH1A1 (0.33) | — | |
| Alcohol SCHEMBL28125577 | 0.72 | — | — | |
| SCHEMBL7736019 | 0.72 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1021390-A1 | PRODUCTION OF CHLORO-2,2,2-TRIFLUOROETHANE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2000-07-26 | — | — | EP | disclosed |
| WO-1997019903-A1 | PRODUCTION OF CHLORO-2,2,2-TRIFLUOROETHANE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-06-05 | — | — | WO | disclosed |
| US-5407877-A | Reactivating chromium-based fluorination catalyst with water vapor | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-04-18 | — | — | US | disclosed |