⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6946235 | 0.74 | — | — | |
| SCHEMBL1033500 | 0.69 | — | — | |
| SCHEMBL443371 | 0.67 | — | — | |
| SCHEMBL4511207 | 0.67 | — | — | |
| SCHEMBL27556032 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL9520449 | 0.65 | — | — | |
| SCHEMBL9591782 | 0.65 | — | — | |
| SCHEMBL9116646 | 0.63 | — | — | |
| Oxalic Acid SCHEMBL21219121 | 0.62 | — | — | |
| Oxalic Acid SCHEMBL21219120 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2571859-A2 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | Research Triangle Institute (US) | 2013-03-27 | — | — | EP | claimed |
| WO-2011146821-A2 | 1 - PHENYLMORPHOLINE DERIVATIVES AS HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE (US) | 2011-11-24 | — | — | WO | claimed |