⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL178952 | 0.96 | — | — | |
| SCHEMBL11799 | 0.96 | — | — | |
| SCHEMBL441286 | 0.96 | — | — | |
| Methyl Alcohol SCHEMBL27464623 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL28542292 | 0.93 | — | — | |
| SCHEMBL28550681 | 0.93 | — | — | |
| SCHEMBL28551741 | 0.93 | — | — | |
| Ethane SCHEMBL27625986 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL16248250 | 0.87 | TSHR (0.37) | — | |
| SCHEMBL2612208 | 0.87 | TSHR (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112467110-A | Organic battery electrode and preparation method thereof | 黄涛 | 2021-03-09 | — | — | CN | claimed |
| CN-112467110-A | Organic battery electrode and preparation method thereof | 黄涛 | 2021-03-09 | — | — | CN | disclosed |