⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10077535 | 1.00 | — | — | |
| SCHEMBL10077537 | 1.00 | — | — | |
| SCHEMBL1088263 | 0.70 | — | — | |
| SCHEMBL1087661 | 0.70 | — | — | |
| SCHEMBL10577901 | 0.70 | — | — | |
| SCHEMBL9707637 | 0.70 | SLC7A5 (0.36) | — | |
| SCHEMBL1627989 | 0.67 | — | — | |
| SCHEMBL5426437 | 0.67 | NLRP3 (0.39) | — | |
| SCHEMBL10074744 | 0.65 | — | — | |
| SCHEMBL3043073 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8354546-B2 | Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes | Vertichem Corporation (CA) | 2013-01-15 | — | — | US | disclosed |
| US-20120157693-A1 | Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes | THESIS CHEMISTRY, LLC (US) | 2012-06-21 | — | — | US | disclosed |
| US-8153416-B2 | Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes using enzymatic resolution | THESIS CHEMISTRY, LLC (US) | 2012-04-10 | — | — | US | disclosed |
| WO-2010068756-A2 | PROCESS FOR MANUFACTURE OF OPTICALLY ACTIVE 2-(ACYLOXYMETHYL)-1, 3 OXATHIOLANES | THESIS CHEMISTRY, LLC (US) | 2010-06-17 | — | — | WO | disclosed |
| US-20100143978-A1 | Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes | THESIS CHEMISTRY, LLC (US) | 2010-06-10 | — | — | US | disclosed |