⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15941616 | 0.89 | MAPT (0.33) | — | |
| SCHEMBL17352600 | 0.85 | KDM4E (0.38) | — | |
| SCHEMBL2954548 | 0.84 | KDM4E (0.40) | — | |
| SCHEMBL2949856 | 0.81 | DHFR (0.33) | — | |
| SCHEMBL28301992 | 0.77 | PARP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5626676 | 0.75 | — | — | |
| SCHEMBL2953203 | 0.74 | PDE8B (0.34) | — | |
| SCHEMBL2948866 | 0.74 | PARP1 (0.39) | — | |
| SCHEMBL2950064 | 0.73 | HRH3 (0.36) | — | |
| SCHEMBL2954019 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010111406-A2 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYRIAD PHARMACEUTICALS, INC. (US) | 2010-09-30 | — | — | WO | claimed |