⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL503209 | 1.00 | — | — | |
| SCHEMBL5832222 | 0.89 | HTR3A (0.30) | — | |
| SCHEMBL6408317 | 0.84 | GABRA1 (0.35) | — | |
| SCHEMBL16878573 | 0.83 | SLC6A1 (0.38) | — | |
| SCHEMBL16878175 | 0.82 | — | — | |
| SCHEMBL28835527 | 0.81 | — | — | |
| SCHEMBL17652515 | 0.81 | — | — | |
| SCHEMBL56633 | 0.81 | — | — | |
| SCHEMBL23253901 | 0.81 | — | — | |
| SCHEMBL1947185 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022033430-A1 | HETEROTRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 深圳微芯生物科技股份有限公司 | 2022-02-17 | — | — | WO | disclosed |