⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2539223 | 0.98 | — | — | |
| SCHEMBL1577719 | 0.91 | — | — | |
| SCHEMBL17870985 | 0.91 | — | — | |
| SCHEMBL2540312 | 0.84 | — | — | |
| SCHEMBL385699 | 0.83 | — | — | |
| SCHEMBL17500585 | 0.83 | — | — | |
| SCHEMBL11258173 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL11258177 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL2533242 | 0.76 | — | — | |
| SCHEMBL2533151 | 0.75 | KDM4E (0.31) | — |
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 9 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 |
| US-4518531-A | Allylic chlorination process and compounds prepared thereby | ELI LILLY AND COMPANY (US) | 1985-05-21 | — | — | US | disclosed |
| US-4430268-A | Allylic chlorination process | ELI LILLY AND COMPANY (US) | 1984-02-07 | — | — | US | disclosed |
| EP-0019387-A1 | Thiazolinoazetidinone compounds useful as intermediates for preparing cephalosporins and a process for their preparation | ELI LILLY AND COMPANY (US) | 1980-11-26 | — | — | EP | disclosed |