⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6880728 | 0.91 | ALDH1A1 (0.45) | — | |
| SCHEMBL2586974 | 0.86 | MAPT (0.46) | — | |
| SCHEMBL2539787 | 0.85 | MAPT (0.46) | — | |
| SCHEMBL2542633 | 0.83 | PPM1B (0.42) | — | |
| SCHEMBL27630053 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL9039543 | 0.81 | MAPT (0.42) | — | |
| SCHEMBL11473193 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL17871025 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL1414061 | 0.78 | MAPT (0.51) | — | |
| SCHEMBL6736374 | 0.78 | MAPT (0.50) | — |
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-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 |
| CN-1812981-A | Heteroaryloxy nitrogenous saturated heterocyclic derivative | BANYU PHARMA CO LTD (JP) | 2006-08-02 | — | — | CN | disclosed |
| EP-1642898-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-04-05 | — | — | EP | disclosed |