⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3646211 | 0.87 | POLB (0.33) | — | |
| SCHEMBL3641333 | 0.81 | EPHX2 (0.33) | — | |
| SCHEMBL2900731 | 0.76 | — | — | |
| SCHEMBL496453 | 0.76 | — | — | |
| SCHEMBL14631871 | 0.74 | CNR2 (0.31) | — | |
| SCHEMBL3643975 | 0.74 | CNR2 (0.36) | — | |
| SCHEMBL2895793 | 0.74 | — | — | |
| SCHEMBL639331 | 0.74 | — | — | |
| SCHEMBL2261167 | 0.74 | — | — | |
| SCHEMBL5214719 | 0.72 | L3MBTL1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188282-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-26 | — | — | EP | claimed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | claimed |
| EP-2188282-B1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-23 | — | — | EP | disclosed |
| EP-2188282-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | disclosed |