⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4128191 | 0.72 | — | — | |
| SCHEMBL5323681 | 0.68 | — | — | |
| SCHEMBL13870990 | 0.68 | — | — | |
| SCHEMBL19288362 | 0.65 | — | — | |
| SCHEMBL11568784 | 0.65 | — | — | |
| SCHEMBL3793568 | 0.64 | — | — | |
| SCHEMBL345348 | 0.63 | — | — | |
| SCHEMBL17581083 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL41574 | 0.61 | — | — | |
| SCHEMBL3752206 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111825611-A | 4(1H) -quinovone derivatives and uses thereof | 中央研究院 | 2020-10-27 | — | — | CN | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |
| EP-2322504-A1 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER | Asahi Kasei Chemicals Corporation (JP) | 2011-05-18 | — | — | EP | disclosed |