⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18707309 | 0.81 | SIRT2 (0.33) | — | |
| SCHEMBL13017847 | 0.78 | SIRT2 (0.38) | — | |
| SCHEMBL13017842 | 0.76 | CYP19A1 (0.31) | — | |
| SCHEMBL6570244 | 0.76 | SIRT2 (0.44) | — | |
| SCHEMBL13017843 | 0.76 | SIRT2 (0.34) | — | |
| SCHEMBL112554 | 0.76 | — | — | |
| SCHEMBL3539164 | 0.75 | GRIN1 (0.36) | — | |
| SCHEMBL15043702 | 0.75 | GRIN1 (0.36) | — | |
| SCHEMBL15043641 | 0.75 | GRIN1 (0.36) | — | |
| SCHEMBL11474662 | 0.75 | PTPN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3505519-B1 | PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2022-01-05 | — | — | EP | disclosed |