⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15202300 | 0.70 | — | — | |
| SCHEMBL8609939 | 0.63 | — | — | |
| SCHEMBL8611532 | 0.60 | — | — | |
| SCHEMBL4836270 | 0.54 | — | — | |
| SCHEMBL775329 | 0.52 | — | — | |
| SCHEMBL19266147 | 0.52 | — | — | |
| SCHEMBL22118091 | 0.50 | — | — | |
| Trimethylammonium SCHEMBL27521156 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL27590032 | 0.49 | — | — | |
| SCHEMBL1087479 | 0.49 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214826-B1 | NERVOUS SYSTEM DISORDERS | ZENECA LIMITED (GB) | 2001-04-10 | — | — | US | disclosed |