⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL791803 | 1.00 | — | — | |
| SCHEMBL275810 | 1.00 | — | — | |
| SCHEMBL4448763 | 1.00 | — | — | |
| SCHEMBL9880195 | 1.00 | — | — | |
| SCHEMBL5371229 | 1.00 | — | — | |
| SCHEMBL24827776 | 1.00 | — | — | |
| Hydroxyamine SCHEMBL8746594 | 0.95 | ALDH1A1 (0.42) | — | |
| 3-Methylbutanol SCHEMBL28206682 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL13273131 | 0.83 | ALDH1A1 (0.42) | — | |
| 1-Pentanol SCHEMBL28207004 | 0.82 | SMN1; SMN2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015132276-A1 | NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-11 | — | — | WO | disclosed |
| US-8466291-B2 | 1,5-dideoxy-1,5-imino-D-glucitol compounds | ACADEMIA SINICA (TW) | 2013-06-18 | — | — | US | disclosed |
| EP-2452679-A1 | CYTOPROTECTIVE AGENT | National University Corporation Tokyo University Of Agriculture and Technology (JP) | 2012-05-16 | — | — | EP | disclosed |