⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7765976 | 0.91 | MAOA (0.73) | — | |
| SCHEMBL11922739 | 0.85 | — | — | |
| SCHEMBL19235947 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2020152 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL14311815 | 0.83 | MAOA (0.56) | — | |
| SCHEMBL152134 | 0.82 | — | — | |
| SCHEMBL7737481 | 0.80 | MAOA (0.64) | — | |
| SCHEMBL5233047 | 0.79 | MAOA (0.61) | — | |
| SCHEMBL11164484 | 0.78 | MAOA (0.68) | — | |
| SCHEMBL28866669 | 0.78 | — | — |
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-109121414-A | Benzopyrazole compounds and analogs thereof | 拜奥克里斯特制药公司 | 2019-01-01 | — | — | CN | disclosed |