⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3318187 | 0.73 | — | — | |
| SCHEMBL9030864 | 0.69 | — | — | |
| SCHEMBL27549271 | 0.69 | — | — | |
| SCHEMBL27369711 | 0.67 | — | — | |
| SCHEMBL21114292 | 0.65 | SHBG (0.52) | — | |
| SCHEMBL21114328 | 0.65 | SHBG (0.52) | — | |
| SCHEMBL21114258 | 0.65 | SHBG (0.52) | — | |
| SCHEMBL21114256 | 0.65 | SHBG (0.52) | — | |
| SCHEMBL12802973 | 0.65 | SHBG (0.52) | — | |
| SCHEMBL21114236 | 0.65 | SHBG (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4031245-A | TETRABENAZINE, ANTIDEPRESSANTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-06-21 | — | — | US | disclosed |
| US-3978129-A | TETRABENAZINE ANTAGONISM | A. H. ROBINS COMPANY, INCORPORATED (US) | 1976-08-31 | — | — | US | disclosed |