⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6760778 | 0.79 | NPSR1 (0.33) | — | |
| SCHEMBL6760857 | 0.77 | — | — | |
| SCHEMBL6764287 | 0.73 | — | — | |
| SCHEMBL6764279 | 0.73 | — | — | |
| SCHEMBL6762174 | 0.68 | ACSS2 (0.34) | — | |
| SCHEMBL6760408 | 0.66 | CCNB2 (0.32) | — | |
| SCHEMBL6757707 | 0.64 | ACSS2 (0.33) | — | |
| SCHEMBL3155360 | 0.62 | HMGCR (0.40) | — | |
| SCHEMBL23112031 | 0.58 | HPGD (0.35) | — | |
| SCHEMBL30765112 | 0.58 | HPGD (0.35) | — |
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-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 |