⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13280909 | 0.86 | — | — | |
| SCHEMBL22015774 | 0.67 | — | — | |
| SCHEMBL2081006 | 0.66 | — | — | |
| SCHEMBL498178 | 0.65 | — | — | |
| SCHEMBL971225 | 0.65 | — | — | |
| SCHEMBL1621735 | 0.65 | — | — | |
| SCHEMBL819464 | 0.65 | — | — | |
| SCHEMBL819558 | 0.65 | LMNA (0.38) | — | |
| SCHEMBL10150384 | 0.64 | — | — | |
| SCHEMBL1620209 | 0.64 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114891011-A | Preparation method of medical intermediate 2-amino-tetrahydropyrano [3, 2-c ] quinoline-5-ketone derivative | 南京苏亦欣医药科技有限公司 | 2022-08-12 | — | — | CN | disclosed |
| WO-2013026900-A1 | PYRIDINE DERIVATIVES AS MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2013-02-28 | — | — | WO | disclosed |