⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10177098 | 0.95 | — | — | |
| SCHEMBL16727616 | 0.94 | DRD2 (0.30) | — | |
| SCHEMBL15030922 | 0.93 | — | — | |
| SCHEMBL10328198 | 0.93 | — | — | |
| SCHEMBL18511210 | 0.89 | — | — | |
| SCHEMBL14617863 | 0.81 | — | — | |
| SCHEMBL16730251 | 0.79 | HRH3 (0.32) | — | |
| SCHEMBL15030989 | 0.79 | HRH3 (0.32) | — | |
| SCHEMBL1672778 | 0.74 | PTPN1 (0.33) | — | |
| SCHEMBL14617867 | 0.73 | PDE10A (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140274921-A1 | GLYCOSIDE DERIVATIVES AND USES THEREOF | NOVARTIS AG (CH) | 2014-09-18 | — | — | US | disclosed |