⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1490750 | 0.82 | — | — | |
| SCHEMBL7330352 | 0.82 | — | — | |
| SCHEMBL4771040 | 0.81 | PPM1B (0.37) | — | |
| SCHEMBL17054684 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL27478992 | 0.79 | PPM1B (0.49) | — | |
| SCHEMBL30901578 | 0.78 | PPM1B (0.51) | — | |
| SCHEMBL2542633 | 0.77 | PPM1B (0.42) | — | |
| SCHEMBL28890578 | 0.77 | PPM1B (0.42) | — | |
| SCHEMBL1169671 | 0.77 | PPM1B (0.42) | — | |
| SCHEMBL28410422 | 0.77 | PPM1B (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8044070-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | MSD K.K. (JP) | 2011-10-25 | — | — | US | disclosed |
| US-20100210637-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | MSD K.K. (JP) | 2010-08-19 | — | — | US | disclosed |
| US-7595316-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-09-29 | — | — | US | disclosed |
| US-20060178375-A1 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | MSD K.K. (JP) | 2006-08-10 | — | — | US | disclosed |
| EP-1642898-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-04-05 | — | — | EP | disclosed |