⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24832433 | 0.67 | — | — | |
| SCHEMBL193084 | 0.65 | — | — | |
| SCHEMBL20444155 | 0.63 | — | — | |
| SCHEMBL21537280 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL16801941 | 0.62 | — | — | |
| SCHEMBL13973288 | 0.62 | — | — | |
| SCHEMBL560166 | 0.61 | — | — | |
| SCHEMBL14085347 | 0.61 | — | — | |
| SCHEMBL17188608 | 0.61 | — | — | |
| SCHEMBL18780030 | 0.61 | — | — |
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-2020263058-A1 | AMINOCYANOPYRIDINE DERIVATIVE AND USE THEREOF | 한미약품 주식회사 | 2020-12-30 | — | — | WO | disclosed |