⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24061655 | 0.67 | — | — | |
| SCHEMBL14076040 | 0.67 | — | — | |
| SCHEMBL19518262 | 0.60 | — | — | |
| SCHEMBL19670070 | 0.58 | — | — | |
| SCHEMBL21093394 | 0.58 | — | — | |
| SCHEMBL5320058 | 0.58 | — | — | |
| SCHEMBL18197911 | 0.58 | — | — | |
| SCHEMBL9851264 | 0.57 | — | — | |
| SCHEMBL1171314 | 0.57 | — | — | |
| SCHEMBL19752901 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150715-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NICOTINE OR A LIGAND OF NICOTINE RECEPTORS AND A MONAMINE OXYDASE INHIBITOR AND THEIR USE FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS | SANOFI-SYNTHELABO (FR) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000045846-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NICOTINE OR A LIGAND OF NICOTINE RECEPTORS AND A MONAMINE OXYDASE INHIBITOR AND THEIR USE FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS | SANOFI-SYNTHELABO (FR) | 2000-08-10 | — | — | WO | disclosed |