⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8119240 | 0.77 | — | — | |
| SCHEMBL14962814 | 0.77 | — | — | |
| SCHEMBL13286361 | 0.74 | — | — | |
| SCHEMBL2086452 | 0.73 | DGAT1 (0.31) | — | |
| SCHEMBL79871 | 0.73 | — | — | |
| SCHEMBL28546003 | 0.72 | — | — | |
| SCHEMBL56282 | 0.72 | THRB (0.33) | — | |
| SCHEMBL11791240 | 0.72 | — | — | |
| SCHEMBL642649 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL4986 | 0.69 | — | — |
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-7749984-B2 | Computer-based model for identification and characterization of non-competitive inhibitors of nicotinic acetylcholine receptors and related ligand-gated ion channel receptors | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-07-06 | — | — | US | disclosed |
| US-20050033522-A1 | Computer-based model for identification and characterization of non-competitive inhibitors of nicotinic acetylcholine receptors and related ligand-gated ion channel receptors | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2005-02-10 | — | — | US | disclosed |
| US-20040248920-A1 | Spiro-hydantoin compounds useful as anti-inflammatory agents | DHAR T G MURALI (US) | 2004-12-09 | — | — | US | disclosed |