⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14815370 | 0.78 | FPR2 (0.34) | — | |
| SCHEMBL14815149 | 0.75 | GPR119 (0.32) | — | |
| SCHEMBL14815156 | 0.72 | TRPV6 (0.41) | — | |
| SCHEMBL14815233 | 0.69 | PKM (0.39) | — | |
| SCHEMBL14815272 | 0.68 | CCR3 (0.40) | — | |
| SCHEMBL14815342 | 0.68 | KDM4E (0.38) | — | |
| SCHEMBL14815458 | 0.67 | GAA (0.41) | — | |
| SCHEMBL14815194 | 0.67 | IRAK4 (0.36) | — | |
| SCHEMBL14816064 | 0.67 | NAAA (0.34) | — | |
| SCHEMBL14815474 | 0.66 | ALDH1A1 (0.45) | — |
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-20130085142-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | US | claimed |