⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21345247 | 0.60 | — | — | |
| Trimethylammonium SCHEMBL28164962 | 0.55 | — | — | |
| SCHEMBL15241371 | 0.51 | — | — | |
| SCHEMBL28644621 | 0.51 | — | — | |
| SCHEMBL22637 | 0.51 | — | — | |
| SCHEMBL170103 | 0.51 | — | — | |
| SCHEMBL1633153 | 0.51 | — | — | |
| SCHEMBL1796257 | 0.51 | — | — | |
| SCHEMBL805280 | 0.51 | — | — | |
| SCHEMBL14898192 | 0.48 | — | — |
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-2021160087-A1 | QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 贝达药业股份有限公司 | 2021-08-19 | — | — | WO | disclosed |
| US-20030236257-A1 | Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade | PHARMACIA CORPORATION | 2003-12-25 | — | — | US | disclosed |