⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919740 | 0.82 | — | — | |
| SCHEMBL921553 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL921169 | 0.77 | HDAC1 (0.36) | — | |
| SCHEMBL1386078 | 0.73 | — | — | |
| SCHEMBL921654 | 0.72 | — | — | |
| SCHEMBL717593 | 0.71 | NPC1 (0.40) | — | |
| SCHEMBL4758803 | 0.71 | NPC1 (0.40) | — | |
| SCHEMBL6380573 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL2643305 | 0.69 | — | — | |
| SCHEMBL2099465 | 0.69 | DAO (0.41) | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200967-B | Indole benzoquinone compound, preparation method and application thereof | 中国人民解放军陆军军医大学 | 2022-05-24 | — | — | CN | claimed |
| CN-113200967-A | Indole benzoquinone compound, preparation method and application thereof | 中国人民解放军陆军军医大学 | 2021-08-03 | — | — | CN | claimed |
| WO-2007001406-A2 | ARYL-CONTAINING MACROCYCLIC COMPOUNDS | CHIRON CORPORATION (US) | 2007-01-04 | — | — | WO | claimed |
| EP-1412328-B1 | DOLASTATIN 10 DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | claimed |
| EP-1575947-A1 | 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES | Amgen Inc. (US) | 2005-09-21 | — | — | EP | claimed |
| WO-2004094374-A2 | PREPARATION OF (S)-CLOPIDOGREL AND RELATED COMPOUNDS | RHODIA PHARMA SOLUTIONS INC. (FORMALLY RHODIA CHIREX INC.) (US) | 2004-11-04 | — | — | WO | claimed |
| US-20040147561-A1 | Pyrid-2-one derivatives and methods of use | SYNGENTA CROP PROTECTION AG (CH) | 2004-07-29 | — | — | US | claimed |
| WO-2004060890-A1 | 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES | AMGEN INC. (US) | 2004-07-22 | — | — | WO | claimed |
| US-6737409-B2 | FOR CANCER THERAPY | HOFFMANN-LA ROCHE INC. | 2004-05-18 | — | — | US | claimed |
| EP-1412328-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2004-04-28 | — | — | EP | claimed |
| US-20030055002-A1 | Dolastatin 10 derivatives | HOFFMANN-LA ROCHE INC. | 2003-03-20 | — | — | US | claimed |
| WO-2003008378-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-01-30 | — | — | WO | claimed |
| CN-113200967-B | Indole benzoquinone compound, preparation method and application thereof | 中国人民解放军陆军军医大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113200967-A | Indole benzoquinone compound, preparation method and application thereof | 中国人民解放军陆军军医大学 | 2021-08-03 | — | — | CN | disclosed |
| US-20110201649-A1 | AGRICULTURAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-08-18 | — | — | US | disclosed |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| WO-2003008378-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-01-30 | — | — | WO | disclosed |
| US-6413979-B1 | ANTAGONISTS TO ENDOTHELINS; VASODILATORS AND BRONCHODILATORS; SYNTHESIS ROUTES; HYPERTENSION, ASTHMA, RAYNAUD'S DISEASE, RENAL AND HEART FAILURE, ANGINA, DIABETES, CEREBRAL INFARC-TION AND VASOSPASM, ARTERIOSCLEROSIS, RESTENOSIS, PROSTATISM | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-07-02 | — | — | US | disclosed |
| EP-1049691-A1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037639-A1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-29 | — | — | WO | disclosed |