⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13712157 | 0.86 | USP2 (0.36) | — | |
| SCHEMBL13101847 | 0.86 | USP2 (0.36) | — | |
| SCHEMBL12002145 | 0.85 | CHRM2 (0.34) | — | |
| SCHEMBL18733575 | 0.79 | — | — | |
| SCHEMBL24155794 | 0.70 | — | — | |
| SCHEMBL16853940 | 0.69 | — | — | |
| SCHEMBL25583806 | 0.67 | — | — | |
| SCHEMBL169778 | 0.67 | — | — | |
| SCHEMBL254577 | 0.66 | — | — | |
| SCHEMBL17009531 | 0.65 | GRIN2D (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023109883-A1 | AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |
| WO-2017197192-A1 | SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | ABIDE THERAPEUTICS, INC. (US) | 2017-11-16 | — | — | WO | disclosed |
| EP-1911350-A1 | AMIDINE COMPOUND AND HERBICIDE | NIPPON SODA CO., LTD. (JP) | 2008-04-16 | — | — | EP | disclosed |