⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18764 | 0.89 | — | — | |
| SCHEMBL8712085 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL28412649 | 0.86 | — | — | |
| Fluoride SCHEMBL6364058 | 0.86 | — | — | |
| SCHEMBL17837111 | 0.83 | — | — | |
| SCHEMBL6057879 | 0.83 | — | — | |
| Fluoromethane SCHEMBL28346221 | 0.83 | — | — | |
| Fluoride Ion SCHEMBL6364056 | 0.83 | — | — | |
| SCHEMBL7158922 | 0.80 | — | — | |
| SCHEMBL15402823 | 0.78 | — | — |
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-0993425-B1 | PROCESS FOR PREPARING HYDROFLUOROCARBONS | HONEYWELL INT INC (US) | 2001-11-14 | — | — | EP | disclosed |
| US-5902912-A | CATALYTIC CHLORINATION AND FLUORINATION OF ORGANIC COMPOUNDS | ALLIEDSIGNAL INC. (US) | 1999-05-11 | — | — | US | disclosed |