⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33284 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL11881048 | 0.71 | — | — | |
| SCHEMBL6340848 | 0.71 | — | — | |
| SCHEMBL22339863 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL23927287 | 0.67 | — | — | |
| SCHEMBL18573525 | 0.67 | — | — | |
| Apaflurane SCHEMBL19860 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL21176793 | 0.66 | — | — | |
| Apaflurane SCHEMBL7649343 | 0.63 | ALDH1A1 (0.31) | — | |
| Apaflurane SCHEMBL17867718 | 0.63 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3987203-A | ANESTHETIZING COMPOSITION AND METHOD | AIRCO, INC. (US) | 1976-10-19 | — | — | US | disclosed |