⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5286096 | 0.78 | — | — | |
| SCHEMBL5279735 | 0.78 | — | — | |
| SCHEMBL5280346 | 0.75 | — | — | |
| SCHEMBL5279159 | 0.70 | — | — | |
| SCHEMBL19085917 | 0.70 | — | — | |
| SCHEMBL5282865 | 0.70 | — | — | |
| SCHEMBL5282417 | 0.68 | — | — | |
| SCHEMBL21719576 | 0.68 | — | — | |
| SCHEMBL18812405 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL5276844 | 0.68 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210386718-A1 | BICYCLIC DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS | RICHTER GEDEON NYRT. (HU) | 2021-12-16 | — | — | US | disclosed |
| EP-3288934-B1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-09-04 | — | — | EP | disclosed |