⚠ 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 SCHEMBL11429086 | 0.97 | — | — | |
| SCHEMBL22047696 | 0.87 | — | — | |
| SCHEMBL31319809 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL9849176 | 0.78 | — | — | |
| SCHEMBL11436402 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11426737 | 0.76 | — | — | |
| SCHEMBL9120789 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL5875247 | 0.76 | TSHR (0.44) | — | |
| Bromide SCHEMBL23413508 | 0.74 | DNM1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL21494371 | 0.74 | DNM1 (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-4057644-A | PARKINSON'S DISEASE | LABAZ (FR) | 1977-11-08 | — | — | 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 |