⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28071077 | 0.83 | — | — | |
| SCHEMBL891706 | 0.77 | — | — | |
| SCHEMBL27851487 | 0.76 | — | — | |
| SCHEMBL4956991 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL28316062 | 0.74 | — | — | |
| SCHEMBL27716984 | 0.74 | — | — | |
| SCHEMBL1286372 | 0.73 | — | — | |
| SCHEMBL11213309 | 0.72 | — | — | |
| SCHEMBL9077478 | 0.71 | — | — | |
| SCHEMBL26498 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5670654-A | CYCLIZATION IN PRESENCE OF REDUCING AGENT | EASTMAN KODAK COMPANY (US) | 1997-09-23 | — | — | US | claimed |
| 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 |