⚠ 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 SCHEMBL11435346 | 0.98 | — | — | |
| SCHEMBL25776594 | 0.91 | — | — | |
| Iodide SCHEMBL2210494 | 0.84 | — | — | |
| SCHEMBL20118853 | 0.79 | — | — | |
| SCHEMBL25610726 | 0.79 | — | — | |
| SCHEMBL22537915 | 0.78 | — | — | |
| SCHEMBL1679350 | 0.78 | — | — | |
| SCHEMBL18727452 | 0.78 | — | — | |
| Iodide SCHEMBL28675723 | 0.76 | LMNA (0.40) | — | |
| Bromide SCHEMBL28931556 | 0.76 | LMNA (0.40) | — |
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-4201725-A | TRISUBSTITUTED METHYL-N-METHYLAMINE, PARKINSON*S DISEASE, ANTISPASMODIC AGENTS | LABAZ (FR) | 1980-05-06 | — | — | US | claimed |
| US-4201725-A | TRISUBSTITUTED METHYL-N-METHYLAMINE, PARKINSON*S DISEASE, ANTISPASMODIC AGENTS | LABAZ (FR) | 1980-05-06 | — | — | US | disclosed |
| US-4057644-A | PARKINSON'S DISEASE | LABAZ (FR) | 1977-11-08 | — | — | US | disclosed |