⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22036801 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL13389307 | 0.71 | BRD4 (0.31) | — | |
| SCHEMBL22036849 | 0.70 | CHRM3 (0.41) | — | |
| SCHEMBL809512 | 0.69 | DDB1 (0.43) | — | |
| SCHEMBL6042570 | 0.68 | L3MBTL1 (0.31) | — | |
| SCHEMBL6043295 | 0.68 | SLC6A3 (0.33) | — | |
| SCHEMBL6043289 | 0.68 | SLC6A3 (0.33) | — | |
| SCHEMBL6042565 | 0.68 | L3MBTL1 (0.31) | — | |
| SCHEMBL31363274 | 0.67 | — | — | |
| SCHEMBL1476498 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200163336-A1 | CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT | NIPPON SODA CO., LTD. (JP) | 2020-05-28 | — | — | US | disclosed |