⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3307999 | 0.76 | EPHX2 (0.34) | — | |
| SCHEMBL496066 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL3313831 | 0.71 | HDAC6 (0.35) | — | |
| SCHEMBL8006118 | 0.71 | AR (0.47) | — | |
| SCHEMBL3483126 | 0.69 | CSNK2A1 (0.49) | — | |
| SCHEMBL6002332 | 0.68 | STS (0.33) | — | |
| SCHEMBL9600991 | 0.67 | — | — | |
| SCHEMBL28567790 | 0.67 | GSK3B (0.41) | — | |
| SCHEMBL157615 | 0.67 | CA12 (0.47) | — | |
| SCHEMBL28567143 | 0.65 | AHR (0.45) | — |
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 4 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-20100113531-A1 | THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-05-06 | — | — | US | 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 |