⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22472292 | 1.00 | — | — | |
| SCHEMBL22472291 | 1.00 | — | — | |
| SCHEMBL16249373 | 0.80 | HRH4 (0.33) | — | |
| SCHEMBL18484247 | 0.79 | — | — | |
| SCHEMBL22778661 | 0.77 | — | — | |
| SCHEMBL680704 | 0.77 | — | — | |
| SCHEMBL23328828 | 0.74 | — | — | |
| SCHEMBL21664592 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2920993 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL20241173 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020196828-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 | 2020-10-01 | — | — | WO | disclosed |
| US-20170217897-A1 | QUINOLONE DERIVATIVES AS ANTIBACTERIALS | WUXI APPTEC (CN) | 2017-08-03 | — | — | US | disclosed |