⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1960853 | 0.80 | CCR1 (0.39) | — | |
| SCHEMBL984963 | 0.79 | ENPP3 (0.38) | — | |
| SCHEMBL13005142 | 0.75 | — | — | |
| SCHEMBL1963226 | 0.74 | — | — | |
| SCHEMBL3349567 | 0.70 | XDH (0.32) | — | |
| SCHEMBL1799788 | 0.68 | MAPK8 (0.42) | — | |
| SCHEMBL3348850 | 0.66 | FEN1 (0.43) | — | |
| SCHEMBL1798894 | 0.64 | SUV39H2 (0.38) | — | |
| SCHEMBL13004914 | 0.64 | APP (0.32) | — | |
| SCHEMBL4490724 | 0.61 | TFPI2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633750-B1 | SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES | EISAI R&D MAN CO LTD (JP) | 2010-12-01 | — | — | EP | disclosed |