⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11466505 | 0.80 | — | — | |
| SCHEMBL2508747 | 0.78 | — | — | |
| SCHEMBL18609737 | 0.78 | — | — | |
| SCHEMBL22789099 | 0.78 | — | — | |
| SCHEMBL14393428 | 0.78 | — | — | |
| SCHEMBL5139447 | 0.78 | — | — | |
| SCHEMBL8175802 | 0.78 | — | — | |
| SCHEMBL12643568 | 0.77 | CHRM1 (0.47) | — | |
| SCHEMBL3535510 | 0.76 | — | — | |
| SCHEMBL11455776 | 0.74 | CYP1A2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1043999-A4 | NOVEL SUBSTITUTED PYRIDINE COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2003-04-23 | — | — | EP | disclosed |
| EP-1043999-A1 | NOVEL SUBSTITUTED PYRIDINE COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-18 | — | — | EP | disclosed |
| WO-1999032117-A1 | NOVEL SUBSTITUTED PYRIDINE COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1999-07-01 | — | — | WO | disclosed |