⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7612 | 1.00 | — | — | |
| SCHEMBL27523976 | 1.00 | PARP1 (0.30) | — | |
| Lithium SCHEMBL29481008 | 0.96 | — | — | |
| Water SCHEMBL18642501 | 0.96 | — | — | |
| SCHEMBL29201486 | 0.96 | — | — | |
| SCHEMBL6345413 | 0.96 | — | — | |
| SCHEMBL30999499 | 0.96 | — | — | |
| SCHEMBL12501828 | 0.96 | — | — | |
| SCHEMBL2132650 | 0.96 | — | — | |
| SCHEMBL17629394 | 0.96 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0062328-A2 | Novel penicillin and cephalosporin compounds, a process for preparing the same and antibacterial composition containing the novel compounds | Eisai Co., Ltd. (JP) | 1982-10-13 | — | — | EP | claimed |
| CN-113474334-A | Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer | 默克专利股份公司 | 2021-10-01 | — | — | CN | disclosed |
| EP-1934227-B1 | 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2011-12-21 | — | — | EP | disclosed |
| WO-2007035542-A1 | 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2007-03-29 | — | — | WO | disclosed |
| US-6916923-B2 | Method for synthesizing pyrazolobenzodiazepines | HOFFMANN-LA ROCHE INC. (US) | 2005-07-12 | — | — | US | disclosed |
| US-6838558-B2 | Pyrazolobenzodiazepines | HOFFMANN-LA ROCHE INC. (US) | 2005-01-04 | — | — | US | disclosed |
| EP-1185529-B1 | PYRAZOLOBENZODIAZEPINES AS CDK2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2004-10-13 | — | — | EP | disclosed |
| US-6440959-B1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| WO-2002024704-A1 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2002-03-28 | — | — | WO | disclosed |
| WO-2002024709-A2 | BICYCLODERIVATIVES AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2002-03-28 | — | — | WO | disclosed |
| WO-2001030782-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-05-03 | — | — | WO | disclosed |