⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5469952 | 0.78 | RNPEP (0.39) | — | |
| SCHEMBL5470071 | 0.78 | RNPEP (0.38) | — | |
| SCHEMBL7554203 | 0.77 | — | — | |
| SCHEMBL9391457 | 0.73 | — | — | |
| SCHEMBL5456827 | 0.73 | RNPEP (0.46) | — | |
| SCHEMBL564157 | 0.73 | — | — | |
| SCHEMBL11204402 | 0.73 | — | — | |
| SCHEMBL902591 | 0.71 | — | — | |
| SCHEMBL5464510 | 0.71 | EPHX1 (0.31) | — | |
| SCHEMBL29025802 | 0.71 | — | — |
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-5726021-A | PRETREATING CELLS BY ENZYME DEGRADATION, MAGNESIUM CHELATORS, NONIONIC AND ANIONIC DETERGENTS AND HEATING | BECTON DICKINSON AND COMPANY (US) | 1998-03-10 | — | — | US | disclosed |