⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8943542 | 0.80 | — | — | |
| SCHEMBL797852 | 0.78 | — | — | |
| SCHEMBL11649524 | 0.76 | CHRNB2 (0.45) | — | |
| SCHEMBL6175555 | 0.76 | — | — | |
| SCHEMBL2539675 | 0.75 | POLB (0.31) | — | |
| SCHEMBL2965145 | 0.73 | CHRNB2 (0.56) | — | |
| SCHEMBL16965084 | 0.73 | CHRNB2 (0.71) | — | |
| SCHEMBL9601725 | 0.70 | — | — | |
| SCHEMBL1214540 | 0.70 | — | — | |
| SCHEMBL2888177 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1642898-B1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | MSD KK (JP) | 2013-03-27 | — | — | EP | disclosed |
| 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 |