⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23586344 | 0.66 | NPC1 (0.33) | — | |
| SCHEMBL23586302 | 0.65 | NPC1 (0.38) | — | |
| SCHEMBL18727590 | 0.64 | — | — | |
| SCHEMBL27044838 | 0.64 | — | — | |
| SCHEMBL24930963 | 0.60 | — | — | |
| SCHEMBL23544284 | 0.60 | — | — | |
| SCHEMBL24522092 | 0.60 | — | — | |
| SCHEMBL22055396 | 0.58 | — | — | |
| SCHEMBL22072005 | 0.58 | — | — | |
| SCHEMBL24931025 | 0.58 | — | — |
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-3230404-B1 | AMBIPOLAR HOST MATERIALS AND THEIR USE | CYNORA GMBH (DE) | 2020-02-05 | — | — | EP | disclosed |