⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3187776 | 0.64 | — | — | |
| SCHEMBL15941724 | 0.63 | — | — | |
| SCHEMBL22804341 | 0.62 | — | — | |
| Iodide SCHEMBL28875264 | 0.61 | — | — | |
| SCHEMBL14779549 | 0.60 | CA1 (0.30) | — | |
| SCHEMBL1059931 | 0.60 | CA1 (0.30) | — | |
| SCHEMBL28878331 | 0.59 | — | — | |
| SCHEMBL2512849 | 0.58 | — | — | |
| SCHEMBL25249293 | 0.57 | — | — | |
| SCHEMBL777309 | 0.55 | CA1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567524-A1 | THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER | Richter, Wolfgang (DE) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048372-A1 | THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER | MORPHOCHEM AG KOMB CHEMIE (DE) | 2004-06-10 | — | — | WO | disclosed |
| EP-0934076-A1 | SOLID PHASE LIPOGLYCOPEPTIDE LIBRARY, COMPOSITIONS AND METHODS | Intercardia, Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| EP-0934076-A4 | — | — | 1999-08-11 | — | — | EP | disclosed |
| WO-1997034623-A1 | SOLID PHASE LIPOGLYCOPEPTIDE LIBRARY, COMPOSITIONS AND METHODS | TRANSCELL TECHNOLOGIES, INC. (US) | 1997-09-25 | — | — | WO | disclosed |
| EP-0706528-A1 | FUCOSYLATED GLYCOSIDES AS INHIBITORS OF BACTERIAL ADHERENCE | Astra Aktiebolag (SE) | 1996-04-17 | — | — | EP | disclosed |
| EP-0648220-A1 | DEUTERATED NUCLEOSIDES | CHATTOPADHYAYA, Jyoti (SE) | 1995-04-19 | — | — | EP | disclosed |