⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431680 | 0.96 | — | — | |
| SCHEMBL4538313 | 0.96 | — | — | |
| SCHEMBL15391984 | 0.96 | — | — | |
| SCHEMBL7532829 | 0.96 | — | — | |
| SCHEMBL6266606 | 0.92 | — | — | |
| SCHEMBL28995029 | 0.92 | — | — | |
| SCHEMBL2946496 | 0.92 | — | — | |
| SCHEMBL7176830 | 0.92 | — | — | |
| SCHEMBL5068224 | 0.92 | — | — | |
| Water SCHEMBL27717792 | 0.92 | ALDH1A1 (0.83) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008079697-A2 | METHOD OF TREATING MUCIN DEFICIENCY WITH AN ACTIVE PHARMACEUTICAL AND RELATED COMPOSITION | BAUSCH & LOMB INCORPORATED (US) | 2008-07-03 | — | — | WO | disclosed |
| US-20080153908-A1 | Method of Treating Mucin Deficiency with an Active Pharmaceutical and Related Composition | BAUSCH & LOMB INCORPORATED | 2008-06-26 | — | — | US | disclosed |