⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL992858 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL13735390 | 0.57 | L3MBTL1 (0.32) | — | |
| SCHEMBL14733451 | 0.56 | — | — | |
| SCHEMBL10964285 | 0.56 | — | — | |
| SCHEMBL996750 | 0.55 | LOXL2 (0.31) | — | |
| SCHEMBL14731898 | 0.52 | — | — | |
| SCHEMBL10079569 | 0.46 | CYP11B2 (0.38) | — | |
| SCHEMBL1027098 | 0.45 | — | — | |
| SCHEMBL8050608 | 0.45 | — | — | |
| SCHEMBL1029985 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9586962-B2 | Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-07 | — | — | US | disclosed |
| US-20140171430-A1 | DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-06-19 | — | — | US | disclosed |
| WO-2012145581-A1 | DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2012-10-26 | — | — | WO | disclosed |