⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21621207 | 0.70 | — | — | |
| SCHEMBL23369531 | 0.70 | — | — | |
| SCHEMBL12320166 | 0.69 | — | — | |
| SCHEMBL3101613 | 0.67 | — | — | |
| Formamide SCHEMBL8433351 | 0.67 | — | — | |
| Acrylic Acid SCHEMBL6319653 | 0.67 | LMNA (0.53) | — | |
| Acrylic Acid SCHEMBL6314191 | 0.67 | LMNA (0.53) | — | |
| SCHEMBL233520 | 0.66 | — | — | |
| SCHEMBL26680082 | 0.65 | — | — | |
| Bicarbonate SCHEMBL27619866 | 0.65 | TSHR (0.40) | — |
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-2011092120-A1 | 6,7- DIHYDROIMIDAZO [1,5-A] PYRAZIN-8 (5H) - ONE DERIVATIVES AS PROTEIN KINASE MODULATORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2011-08-04 | — | — | WO | disclosed |