⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL984963 | 0.78 | ENPP3 (0.38) | — | |
| SCHEMBL29952219 | 0.77 | — | — | |
| SCHEMBL3349807 | 0.77 | PTGER4 (0.37) | — | |
| SCHEMBL1963226 | 0.76 | — | — | |
| SCHEMBL3347458 | 0.76 | MGAM (0.41) | — | |
| SCHEMBL8944385 | 0.76 | — | — | |
| SCHEMBL13005227 | 0.75 | — | — | |
| SCHEMBL13538294 | 0.72 | OGA (0.31) | — | |
| SCHEMBL3349567 | 0.72 | XDH (0.32) | — | |
| SCHEMBL15687559 | 0.70 | GRIN1 (0.35) | — |
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 2 patents. 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 |
| US-7652137-B2 | Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2010-01-26 | — | — | US | disclosed |