⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17603059 | 0.86 | — | — | |
| SCHEMBL2002794 | 0.85 | — | — | |
| SCHEMBL6186029 | 0.83 | — | — | |
| SCHEMBL6227953 | 0.81 | — | — | |
| SCHEMBL14515471 | 0.80 | — | — | |
| SCHEMBL147455 | 0.80 | — | — | |
| SCHEMBL2329761 | 0.80 | — | — | |
| SCHEMBL3517410 | 0.80 | — | — | |
| SCHEMBL31164816 | 0.80 | — | — | |
| SCHEMBL7940165 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104906593-A | Ester-bond coupled nano diamond doxorubicin drug and preparation method and application thereof | UNIV SHANXI | 2015-09-16 | — | — | CN | claimed |
| CN-107312036-B | Benzotriazole derivative, and preparation method and application thereof | 中国石油化工股份有限公司 | 2020-05-19 | — | — | CN | disclosed |
| WO-2009106552-A2 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2009-09-03 | — | — | WO | disclosed |
| EP-1172400-B1 | THERMOPLASTIC RESIN FILM WITH SATISFACTORY PRINTABILITY | YUPO CORP (JP) | 2005-12-28 | — | — | EP | disclosed |
| US-6586106-B2 | Ink transfer, adhesion and aging stability, and being satisfactory in back ghost when offset printing using oxidation polymerization type ink is performed on both faces | YUPO CORPORATION (JP) | 2003-07-01 | — | — | US | disclosed |
| US-20020054991-A1 | Thermoplastic resin film satisfactory in printability | YUPO CORPORATION (JP) | 2002-05-09 | — | — | US | disclosed |
| EP-1172400-A1 | THERMOPLASTIC RESIN FILM WITH SATISFACTORY PRINTABILITY | Yupo Corporation (JP) | 2002-01-16 | — | — | EP | disclosed |