⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3342032 | 0.83 | PTGS2 (0.37) | — | |
| SCHEMBL9038459 | 0.80 | — | — | |
| SCHEMBL10941455 | 0.80 | — | — | |
| SCHEMBL8014776 | 0.78 | — | — | |
| SCHEMBL21954486 | 0.78 | — | — | |
| SCHEMBL23948510 | 0.77 | TNKS2 (0.37) | — | |
| SCHEMBL30390536 | 0.77 | HMGCR (0.37) | — | |
| Methoxymethane SCHEMBL28440091 | 0.74 | PDE4A (0.33) | — | |
| SCHEMBL23948590 | 0.72 | TAAR1 (0.39) | — | |
| SCHEMBL28451131 | 0.72 | SMN1; SMN2 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0822936-A1 | NOVEL SUBSTITUTED TETRAHYDROPYRANO 3,2-d]OXAZOLONES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 1998-02-11 | — | — | EP | disclosed |
| WO-1996033999-A1 | NOVEL SUBSTITUTED TETRAHYDROPYRANO[3,2-d]OXAZOLONES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 1996-10-31 | — | — | WO | disclosed |