⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1398606 | 0.60 | — | — | |
| SCHEMBL2259370 | 0.57 | L3MBTL1 (0.31) | — | |
| SCHEMBL7409247 | 0.52 | — | — | |
| SCHEMBL10002194 | 0.51 | NOS1 (0.55) | — | |
| SCHEMBL119227 | 0.51 | — | — | |
| SCHEMBL2642737 | 0.48 | — | — | |
| SCHEMBL2373016 | 0.48 | — | — | |
| SCHEMBL6842336 | 0.48 | — | — | |
| SCHEMBL9942580 | 0.48 | — | — | |
| SCHEMBL1118500 | 0.48 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188282-B1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-23 | — | — | EP | disclosed |
| US-20110263662-A1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-10-27 | — | — | US | disclosed |
| US-20110105491-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-05 | — | — | US | disclosed |
| EP-2188282-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2010038200-A1 | OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-08 | — | — | WO | disclosed |
| WO-2010004507-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | disclosed |