⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16289346 | 0.78 | MMP13 (0.35) | — | |
| SCHEMBL15083200 | 0.78 | MMP13 (0.35) | — | |
| SCHEMBL16289604 | 0.78 | — | — | |
| SCHEMBL15083085 | 0.78 | — | — | |
| SCHEMBL21952302 | 0.70 | ITGB3 (0.39) | — | |
| SCHEMBL20630203 | 0.70 | ITGB3 (0.39) | — | |
| SCHEMBL21952370 | 0.70 | ITGB3 (0.39) | — | |
| SCHEMBL29977797 | 0.67 | CHRM2 (0.32) | — | |
| SCHEMBL16289579 | 0.67 | OR51E2 (0.37) | — | |
| SCHEMBL10020407 | 0.67 | GABRR1 (0.37) | — |
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-20240166689-A1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2024-05-23 | — | — | US | disclosed |
| EP-2813512-A1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | Chugai Seiyaku Kabushiki Kaisha (JP) | 2014-12-17 | — | — | EP | disclosed |