⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3821916 | 0.75 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL25177385 | 0.71 | — | — | |
| SCHEMBL6196164 | 0.68 | THRB (0.38) | — | |
| SCHEMBL3557928 | 0.67 | — | — | |
| SCHEMBL9864549 | 0.67 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL11741061 | 0.65 | — | — | |
| SCHEMBL2559278 | 0.65 | — | — | |
| SCHEMBL10022879 | 0.64 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19121185 | 0.63 | NISCH (0.49) | — | |
| SCHEMBL17211649 | 0.62 | SMN1; SMN2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6887700-B2 | Process for the enzymatic preparation of enantiopure 1, 3-dioxolan-4-one and 1,3-oxathiolan-5-one derivatives | Consortium für elektrochemische Industrie GmbH (DE) | 2005-05-03 | — | — | US | disclosed |