⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8940989 | 0.60 | GRIN1 (0.36) | — | |
| SCHEMBL2549983 | 0.55 | GRIN1 (0.35) | — | |
| SCHEMBL2547155 | 0.53 | TSHR (0.33) | — | |
| SCHEMBL8947276 | 0.53 | TSHR (0.33) | — | |
| SCHEMBL14040609 | 0.52 | — | — | |
| SCHEMBL11699962 | 0.51 | GRIN1 (0.34) | — | |
| SCHEMBL9877362 | 0.50 | — | — | |
| SCHEMBL14040673 | 0.50 | — | — | |
| SCHEMBL2413574 | 0.48 | — | — | |
| SCHEMBL6548254 | 0.47 | — | — |
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-104592035-B | A kind of synthetic method of 1,3-diaminourea-5,7-dimethyladamantane | 中钢集团鞍山热能研究院有限公司 | 2016-08-24 | — | — | CN | disclosed |