⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18436217 | 0.67 | — | — | |
| SCHEMBL965038 | 0.41 | — | — | |
| SCHEMBL8883391 | 0.39 | — | — | |
| SCHEMBL483728 | 0.39 | — | — | |
| SCHEMBL11881165 | 0.36 | TSHR (0.44) | — | |
| SCHEMBL192021 | 0.36 | TSHR (0.44) | — | |
| SCHEMBL29441862 | 0.36 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.35 | ALDH1A1 (0.50) | — | |
| SCHEMBL24425415 | 0.35 | — | — | |
| SCHEMBL18694999 | 0.35 | — | — |
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-3397629-B1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598 LTD (KY) | 2023-04-19 | — | — | EP | disclosed |