⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7066928 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7067733 | 0.72 | — | — | |
| Bromide SCHEMBL8380461 | 0.70 | — | — | |
| SCHEMBL8421413 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8380377 | 0.70 | — | — | |
| SCHEMBL6357257 | 0.69 | — | — | |
| SCHEMBL18167960 | 0.62 | — | — | |
| SCHEMBL8425021 | 0.62 | TP53 (0.32) | — | |
| SCHEMBL25177627 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL25166799 | 0.61 | — | — |
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-20170246159-A1 | BENZOQUINOLONE INHIBITORS OF VMAT2 | AUSPEX PHARMACEUTICALS INC (US) | 2017-08-31 | — | — | US | disclosed |
| CN-1041732-C | Process for preparation of syndiotactic vinyl aromatic polymers | DOW CHEMICAL CO (US) | 1999-01-20 | — | — | CN | disclosed |
| CN-1050546-A | The preparation method of syndiotactic vinyl aromatic polymers | DOW CHEMICAL CO (US) | 1991-04-10 | — | — | CN | disclosed |