⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22046591 | 0.76 | — | — | |
| SCHEMBL19930258 | 0.72 | — | — | |
| SCHEMBL916301 | 0.72 | GABRR1 (0.32) | — | |
| SCHEMBL4074684 | 0.70 | — | — | |
| SCHEMBL23254520 | 0.69 | — | — | |
| SCHEMBL29391963 | 0.69 | — | — | |
| SCHEMBL5052337 | 0.68 | GABRR1 (0.43) | — | |
| Isoamylamine SCHEMBL7605806 | 0.68 | GABRR1 (0.43) | — | |
| Isoamylamine SCHEMBL1724 | 0.68 | — | — | |
| SCHEMBL18086894 | 0.67 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-11623206-B2 | Manganese-cobalt spinel oxide nanowire arrays | UNIVERSITY OF CONNECTICUT (US) | 2023-04-11 | — | — | US | disclosed |