⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7226119 | 0.83 | — | — | |
| SCHEMBL7230672 | 0.83 | NPC1 (0.31) | — | |
| SCHEMBL7233201 | 0.83 | CHRNB2 (0.31) | — | |
| SCHEMBL7231093 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL7231859 | 0.82 | HDAC3 (0.34) | — | |
| SCHEMBL7225069 | 0.81 | SLC6A4 (0.31) | — | |
| SCHEMBL7225130 | 0.81 | F10 (0.35) | — | |
| SCHEMBL7233342 | 0.81 | NPC1 (0.33) | — | |
| SCHEMBL7233049 | 0.81 | ROCK2 (0.37) | — | |
| SCHEMBL7124899 | 0.81 | CHRNA7 (0.36) | — |
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-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |