⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6764282 | 0.77 | — | — | |
| SCHEMBL6760859 | 0.76 | — | — | |
| SCHEMBL6760856 | 0.76 | — | — | |
| SCHEMBL6762127 | 0.69 | — | — | |
| SCHEMBL6760778 | 0.58 | NPSR1 (0.33) | — | |
| SCHEMBL614127 | 0.58 | PDE4A (0.31) | — | |
| SCHEMBL6764287 | 0.57 | — | — | |
| SCHEMBL11829747 | 0.53 | MEN1 (0.43) | — | |
| SCHEMBL11829751 | 0.53 | MEN1 (0.43) | — | |
| SCHEMBL613905 | 0.53 | ERN1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723853-B2 | ANTICANCER AGENTS | UNIVERSITY OF PITTSBURGH | 2004-04-20 | — | — | US | disclosed |
| US-20030073840-A1 | Intermediates and methods of preparation of intermediates in the enantiomeric synthesis of (20R)homocamptothecins and the enantiomeric synthesis of (20R)homocamptothecins | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-04-17 | — | — | US | disclosed |
| WO-2003018559-A2 | INTERMEDIATES AND PREPARATION THEREOF FOR THE ENANTIOSELECTIVE SYNTHESIS OF (20R) HOMOCAMPTOTHECINS | UNIVERSITY OF PITTSBURGH (US) | 2003-03-06 | — | — | WO | disclosed |