⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2057191 | 0.77 | CYP1A1 (0.38) | — | |
| SCHEMBL2304841 | 0.64 | CA12 (0.49) | — | |
| SCHEMBL496066 | 0.64 | CYP1A2 (0.31) | — | |
| SCHEMBL5660069 | 0.59 | KCNQ3 (0.34) | — | |
| SCHEMBL2057619 | 0.59 | — | — | |
| SCHEMBL12728542 | 0.58 | MAPT (0.40) | — | |
| SCHEMBL455383 | 0.58 | — | — | |
| SCHEMBL2137796 | 0.58 | — | — | |
| SCHEMBL584226 | 0.58 | — | — | |
| SCHEMBL5747398 | 0.57 | CES2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8236964-B2 | Thiazolidine derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-07 | — | — | US | disclosed |
| US-20110105491-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-05 | — | — | US | disclosed |
| US-20100113531-A1 | THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-05-06 | — | — | US | 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 |
| EP-2125760-A2 | THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008117241-A2 | THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-10-02 | — | — | WO | disclosed |