⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11614527 | 0.98 | MGLL (0.35) | — | |
| SCHEMBL9501843 | 0.81 | — | — | |
| SCHEMBL1127488 | 0.72 | — | — | |
| SCHEMBL19667387 | 0.70 | — | — | |
| SCHEMBL4009300 | 0.68 | — | — | |
| SCHEMBL23519568 | 0.67 | MGLL (0.34) | — | |
| SCHEMBL1187152 | 0.64 | — | — | |
| SCHEMBL1128296 | 0.64 | — | — | |
| SCHEMBL16897218 | 0.64 | — | — | |
| SCHEMBL29752582 | 0.62 | ACHE (0.46) | — |
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-4122264-A | Pyridine containing morpholines | THE UPJOHN COMPANY (US) | 1978-10-24 | — | — | US | disclosed |
| US-4115396-A | HYPOTENSIVE AGENTS | THE UPJOHN COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4067874-A | Novel pyridine 1-oxides | THE UPJOHN COMPANY (US) | 1978-01-10 | — | — | US | disclosed |