⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2342530 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL13822760 | 0.78 | — | — | |
| SCHEMBL27093713 | 0.78 | — | — | |
| SCHEMBL35885 | 0.78 | — | — | |
| SCHEMBL28028831 | 0.78 | — | — | |
| SCHEMBL28572796 | 0.78 | — | — | |
| SCHEMBL5050587 | 0.78 | GNAI3 (0.30) | — | |
| SCHEMBL729797 | 0.76 | — | — | |
| SCHEMBL27551274 | 0.76 | — | — | |
| SCHEMBL29105471 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115798946-A | Production process of metal graphene multi-element composite electrode | 昆山美淼新材料科技有限公司 | 2023-03-14 | — | — | CN | disclosed |