⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5555 | 0.93 | — | — | |
| SCHEMBL715205 | 0.93 | — | — | |
| SCHEMBL31550014 | 0.86 | — | — | |
| Ethane SCHEMBL28127363 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL26630340 | 0.86 | — | — | |
| Phosphine SCHEMBL23533451 | 0.86 | — | — | |
| SCHEMBL116359 | 0.86 | — | — | |
| Water SCHEMBL27868647 | 0.86 | — | — | |
| SCHEMBL11763056 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL19746098 | 0.86 | — | — |
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-4983774-A | CATALYZED BY A COPPER COMPOUND | SOCIETE NATIONALE ELF AQUITAINE (FR) | 1991-01-08 | — | — | US | disclosed |