⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2440497 | 0.83 | TYR (0.33) | — | |
| SCHEMBL9100699 | 0.79 | — | — | |
| SCHEMBL9098708 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL2537548 | 0.75 | — | — | |
| SCHEMBL2883690 | 0.70 | — | — | |
| SCHEMBL956565 | 0.65 | — | — | |
| SCHEMBL2644196 | 0.64 | — | — | |
| SCHEMBL189124 | 0.61 | CDK4 (0.35) | — | |
| SCHEMBL2536715 | 0.61 | PTGS2 (0.40) | — | |
| Cyclohexane SCHEMBL7261875 | 0.60 | POLB (0.46) | — |
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 13 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 | claimed |
| US-7595316-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-09-29 | — | — | US | claimed |
| EP-2183228-B1 | CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2014-08-20 | — | — | EP | disclosed |
| US-8575156-B2 | Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| 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-20110015157-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals ,Inc. | 2011-01-20 | — | — | US | disclosed |
| US-20100210637-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | MSD K.K. (JP) | 2010-08-19 | — | — | US | disclosed |
| EP-2183228-A1 | CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2010-05-12 | — | — | EP | disclosed |
| US-7595316-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-09-29 | — | — | US | disclosed |
| WO-2009017664-A1 | CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | 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 |