⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2211339 | 0.72 | — | — | |
| SCHEMBL10695440 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL1637380 | 0.70 | — | — | |
| SCHEMBL7105867 | 0.67 | — | — | |
| SCHEMBL27574 | 0.65 | — | — | |
| SCHEMBL8149461 | 0.65 | CA2 (0.35) | — | |
| Allylamine SCHEMBL253092 | 0.61 | — | — | |
| SCHEMBL35926 | 0.61 | — | — | |
| SCHEMBL253633 | 0.61 | — | — | |
| SCHEMBL11593688 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5326890-A | Sulfonated silicones and methods for their production | RENSSELAER POLYTECHNIC INSTITUTE (US) | 1994-07-05 | — | — | US | claimed |
| US-5326890-A | Sulfonated silicones and methods for their production | RENSSELAER POLYTECHNIC INSTITUTE (US) | 1994-07-05 | — | — | US | disclosed |
| US-5326890-A | Sulfonated silicones and methods for their production | RENSSELAER POLYTECHNIC INSTITUTE (US) | 1994-07-05 | — | — | US | disclosed |