⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3286175 | 0.67 | TRPV1 (0.31) | — | |
| SCHEMBL10626994 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL4750858 | 0.60 | — | — | |
| SCHEMBL4224918 | 0.58 | HTR7 (0.43) | — | |
| SCHEMBL28571723 | 0.56 | — | — | |
| SCHEMBL10626926 | 0.56 | — | — | |
| SCHEMBL457959 | 0.55 | PTGS1 (0.31) | — | |
| SCHEMBL2884958 | 0.55 | ALDH1A1 (0.39) | — | |
| SCHEMBL159595 | 0.55 | ALDH1A1 (0.39) | — | |
| SCHEMBL3283071 | 0.54 | ACHE (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 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 |