⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16512306 | 0.79 | MMP1 (0.31) | — | |
| SCHEMBL4529337 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4564521 | 0.76 | POLB (0.36) | — | |
| SCHEMBL11993087 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL15214574 | 0.66 | CA12 (0.34) | — | |
| SCHEMBL5586367 | 0.66 | CA12 (0.34) | — | |
| SCHEMBL15214583 | 0.66 | CA12 (0.34) | — | |
| SCHEMBL24659043 | 0.65 | KAT8 (0.32) | — | |
| SCHEMBL25011506 | 0.65 | KAT8 (0.32) | — | |
| SCHEMBL24272677 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019141179-A1 | PYRIDONE DERIVATIVE, COMPOSITION THEREOF AND APPLICATION THEREOF AS ANTI-INFLUENZA DRUG | 银杏树药业(苏州)有限公司 | 2019-07-25 | — | — | WO | disclosed |