⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5958092 | 0.92 | — | — | |
| SCHEMBL8614307 | 0.89 | THRB (0.42) | — | |
| SCHEMBL8613319 | 0.89 | THRB (0.42) | — | |
| SCHEMBL8617987 | 0.89 | THRB (0.42) | — | |
| SCHEMBL6973077 | 0.89 | — | — | |
| SCHEMBL8616141 | 0.89 | THRB (0.42) | — | |
| SCHEMBL630935 | 0.81 | — | — | |
| SCHEMBL4769331 | 0.73 | — | — | |
| SCHEMBL2823404 | 0.71 | — | — | |
| SCHEMBL1220263 | 0.71 | — | — |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6933302-B2 | Nitrogen-based homo-camptothecin derivatives | CALIFORNIA PACIFIC MEDICAL CENTER (US) | 2005-08-23 | — | — | US | claimed |
| US-6855720-B2 | Nitrogen-based camptothecin derivatives | CALIFORNIA PACIFIC MEDICAL CENTER (US) | 2005-02-15 | — | — | US | claimed |
| US-20040063740-A1 | For treatment of cancer | SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER | 2004-04-01 | — | — | US | claimed |
| US-20040034050-A1 | Homo-camptothecin derivatives | CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO | 2004-02-19 | — | — | US | claimed |
| WO-2003101998-A1 | NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES | CALIFORNIA PACIFIC MEDICAL CENTER (US) | 2003-12-11 | — | — | WO | claimed |
| WO-2003101406-A1 | HOMO-CAMPTOTHECIN DERIVATIVES | CALIFORNIA PACIFIC MEDICAL CENTER (US) | 2003-12-11 | — | — | WO | claimed |
| US-20030032624-A1 | Nitrogen-based camptothecin derivatives | US ARMY, SECRETARY OF THE ARMY | 2003-02-13 | — | — | US | claimed |
| US-4783538-A | PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-08 | — | — | US | claimed |
| EP-0181529-A2 | Optically active 2-(4-chloro-phenoxymethly)-3, 3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol, process for its preparation as well as its use as an antimycotic agent. | BAYER AG (DE) | 1986-05-21 | — | — | EP | claimed |
| US-20150315146-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2015-11-05 | — | — | US | disclosed |
| US-20150305334-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2015-10-29 | — | — | US | disclosed |
| EP-2928296-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | Bayer CropScience AG (DE) | 2015-10-14 | — | — | EP | disclosed |
| EP-2928297-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | Bayer CropScience AG (DE) | 2015-10-14 | — | — | EP | disclosed |
| EP-2226322-B1 | IMIDAZOLE CARBONYL COMPOUND | DAIICHI SANKYO CO LTD (JP) | 2015-01-21 | — | — | EP | disclosed |
| EP-0463488-A1 | O-Benzyl oxime ethers and fungicides containing them | BASF Aktiengesellschaft (DE) | 1992-01-02 | — | — | EP | disclosed |
| US-5037976-A | Antimicrobial Agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| US-4898859-A | 2-Oxa-isocephem compounds and compositions containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-02-06 | — | — | US | disclosed |
| US-4783538-A | PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-08 | — | — | US | disclosed |
| EP-0282895-A2 | 2-oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-09-21 | — | — | EP | disclosed |
| EP-0181529-A2 | Optically active 2-(4-chloro-phenoxymethly)-3, 3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol, process for its preparation as well as its use as an antimycotic agent. | BAYER AG (DE) | 1986-05-21 | — | — | EP | disclosed |