⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8553873 | 0.77 | CYP2D6 (0.34) | — | |
| SCHEMBL9653601 | 0.74 | APP (0.37) | — | |
| SCHEMBL2689709 | 0.73 | CA5A (0.36) | — | |
| SCHEMBL5090317 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL9730764 | 0.71 | — | — | |
| SCHEMBL11520282 | 0.71 | — | — | |
| SCHEMBL11143691 | 0.70 | — | — | |
| SCHEMBL974100 | 0.70 | — | — | |
| SCHEMBL1742190 | 0.68 | CA2 (0.37) | — | |
| SCHEMBL11137402 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4368287-A | POLYESTER CONTAINING AMINO-SULFONIC AMPHOIONIC GROUP | NIPPON PAINT CO., LTD. (JP) | 1983-01-11 | — | — | US | disclosed |
| US-4322324-A | Ampho-ionic group-containing alkyd resins | NIPPON PAINT CO., LTD. (JP) | 1982-03-30 | — | — | US | disclosed |