⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9572084 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9566533 | 0.97 | — | — | |
| SCHEMBL4434563 | 0.83 | — | — | |
| SCHEMBL17982513 | 0.80 | — | — | |
| SCHEMBL24377544 | 0.75 | — | — | |
| SCHEMBL9566395 | 0.74 | — | — | |
| SCHEMBL16984363 | 0.74 | — | — | |
| SCHEMBL9566390 | 0.74 | — | — | |
| SCHEMBL23466227 | 0.74 | — | — | |
| SCHEMBL17619450 | 0.74 | — | — |
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-10654842-B2 | Dopamine D3 receptor antagonist compounds | INDIVIOR UK LIMITED (GB) | 2020-05-19 | — | — | US | disclosed |
| US-20190300514-A1 | DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS | INDIVIOR INC. | 2019-10-03 | — | — | US | disclosed |