⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12508771 | 0.93 | — | — | |
| SCHEMBL12508270 | 0.92 | — | — | |
| SCHEMBL12508274 | 0.92 | — | — | |
| SCHEMBL12508483 | 0.88 | GRIN2D (0.51) | — | |
| SCHEMBL12508265 | 0.88 | — | — | |
| SCHEMBL12508530 | 0.87 | — | — | |
| SCHEMBL12508282 | 0.86 | ENPP2 (0.57) | — | |
| SCHEMBL12508493 | 0.86 | — | — | |
| SCHEMBL12508676 | 0.85 | GRIN2D (0.52) | — | |
| SCHEMBL12508747 | 0.84 | ENPP2 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110172415-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| US-7935706-B2 | Nitrogen-containing heterocycle derivatives substituted with cyclic group | SHIONOGI & CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-7935706-B2 | Nitrogen-containing heterocycle derivatives substituted with cyclic group | SHIONOGI & CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-20090062261-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2009-03-05 | — | — | US | disclosed |
| US-20090062261-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2009-03-05 | — | — | US | disclosed |
| EP-1988077-A1 | NIROGENOUS HETEROCYCLIC DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS | SHIONOGI & CO., LTD. (JP) | 2008-11-05 | — | — | EP | disclosed |