⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12044855 | 0.97 | — | — | |
| SCHEMBL7907690 | 0.92 | PLAT (0.38) | — | |
| SCHEMBL12045108 | 0.90 | L3MBTL1 (0.44) | — | |
| SCHEMBL7904516 | 0.89 | — | — | |
| SCHEMBL7913669 | 0.89 | HPGDS (0.37) | — | |
| SCHEMBL12045114 | 0.88 | CCR2 (0.35) | — | |
| SCHEMBL1723517 | 0.88 | PLAT (0.38) | — | |
| SCHEMBL7907326 | 0.88 | SPR (0.36) | — | |
| SCHEMBL12045113 | 0.87 | FASN (0.36) | — | |
| SCHEMBL7913668 | 0.87 | TNKS (0.37) | — |
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-20130085134-A1 | QUINOXALINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-04-04 | — | — | US | disclosed |
| US-20130085134-A1 | QUINOXALINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-04-04 | — | — | US | disclosed |
| US-8357688-B2 | Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors | ASTELLAS PHARMA INC. (JP) | 2013-01-22 | — | — | US | disclosed |
| US-8357688-B2 | Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors | ASTELLAS PHARMA INC. (JP) | 2013-01-22 | — | — | US | disclosed |
| US-20110319385-A1 | QUINOXALINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2011-12-29 | — | — | US | disclosed |
| US-20110319385-A1 | QUINOXALINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2011-12-29 | — | — | US | disclosed |