⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4576033 | 0.72 | — | — | |
| SCHEMBL9723500 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL4576665 | 0.71 | — | — | |
| SCHEMBL8665073 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL28712278 | 0.67 | — | — | |
| SCHEMBL269643 | 0.67 | — | — | |
| SCHEMBL98276 | 0.67 | — | — | |
| SCHEMBL8497619 | 0.67 | TBXAS1 (0.35) | — | |
| SCHEMBL148914 | 0.67 | — | — | |
| SCHEMBL4522996 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140948-A4 | CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF | UNIV PITTSBURGH (US) | 2008-01-02 | — | — | EP | disclosed |
| US-6743917-B2 | 7-(TRIALKYLSILYLALKYL)-CAMPTOTHECIN OF GIVEN FORMULA BY CYCLIZING A 4-HYDROXY-6-HALO,7-(TRIALKYLSILYLALKYL)-3,4,7,8-TETRAHYDRO-1H-PYRANO(3,4 -C)PYRIDIN-3,8-DIONE WITH AN ARYL ISONITRILE | UNIVERSITY OF PITTSBURGH | 2004-06-01 | — | — | US | disclosed |
| US-20020193598-A1 | Camptothecin analogs and methods of preparation thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-12-19 | — | — | US | disclosed |
| EP-1140948-A1 | CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF | UNIVERSITY OF PITTSBURGH (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6136978-A | CYCLIZING SILYL COMPOUND WITH ARYL ISONITRILE COMPOUND TO FORM SILYL CAMPTOTHECIN DERIVATIVE | UNIVERSITY OF PITTSBURGH (US) | 2000-10-24 | — | — | US | disclosed |
| WO-2000035924-A1 | CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF | UNIVERSITY OF PITTSBURGH (US) | 2000-06-22 | — | — | WO | disclosed |