⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30685393 | 1.00 | — | — | |
| SCHEMBL637326 | 1.00 | — | — | |
| SCHEMBL8652006 | 1.00 | — | — | |
| SCHEMBL26157991 | 0.95 | — | — | |
| SCHEMBL1782162 | 0.84 | — | — | |
| SCHEMBL1781121 | 0.80 | — | — | |
| SCHEMBL17984937 | 0.80 | — | — | |
| SCHEMBL6120496 | 0.80 | — | — | |
| SCHEMBL1785890 | 0.78 | PTPN1 (0.36) | — | |
| SCHEMBL1783740 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5795749-A | Use of 2-deoxyribose-5-phosphate aldolase to prepare 2-deoxyfucose, analogues and derivatives | THE SCRIPPS RESEARCH INSTITUTION (US) | 1998-08-18 | — | — | US | disclosed |
| WO-1996031615-A1 | USE OF 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE TO PREPARE 2-DEOXYFUCOSE, ANALOGUES AND DERIVATIVES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-10-10 | — | — | WO | disclosed |