⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9003812 | 1.00 | — | — | |
| SCHEMBL277362 | 1.00 | — | — | |
| Bromide SCHEMBL9978603 | 0.97 | — | — | |
| SCHEMBL4269485 | 0.78 | — | — | |
| Ethylamine SCHEMBL9495310 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL24800075 | 0.75 | — | — | |
| SCHEMBL364240 | 0.75 | — | — | |
| SCHEMBL8369667 | 0.75 | TSHR (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL27383818 | 0.75 | — | — | |
| SCHEMBL5022448 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2326180-B1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |