⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50056 | 0.91 | — | — | |
| SCHEMBL2710428 | 0.91 | — | — | |
| SCHEMBL2031403 | 0.91 | EPHX1 (0.32) | — | |
| SCHEMBL8824317 | 0.91 | — | — | |
| SCHEMBL11551881 | 0.86 | — | — | |
| SCHEMBL9576633 | 0.82 | CHRM2 (0.32) | — | |
| Cyclopropane SCHEMBL27880089 | 0.82 | — | — | |
| SCHEMBL1792942 | 0.73 | — | — | |
| SCHEMBL9191419 | 0.73 | — | — | |
| SCHEMBL4664906 | 0.73 | — | — |
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-112423758-A | Adenosine receptor binding compounds | 尼康治疗公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-105873920-B | As 5-HT4The indazole compound of receptor stimulating agent | 苏文生命科学有限公司 | 2018-06-08 | — | — | CN | disclosed |