⚠ 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 SCHEMBL9682996 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9684003 | 0.97 | — | — | |
| SCHEMBL1358962 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1359150 | 0.93 | — | — | |
| SCHEMBL10893086 | 0.76 | — | — | |
| SCHEMBL6095535 | 0.69 | — | — | |
| SCHEMBL6095140 | 0.69 | — | — | |
| SCHEMBL23914028 | 0.65 | — | — | |
| SCHEMBL1467334 | 0.65 | — | — | |
| SCHEMBL6096295 | 0.64 | — | — |
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-5356885-A | Cholinergic agents; administering for treatment of diseases of the central nervous system | AMERICAN CYANAMID COMPANY (US) | 1994-10-18 | — | — | US | disclosed |