⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6124929 | 0.71 | — | — | |
| SCHEMBL2581051 | 0.71 | — | — | |
| SCHEMBL17196008 | 0.70 | HSD17B3 (0.31) | — | |
| SCHEMBL1004507 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL1006950 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL31831117 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL9998974 | 0.66 | — | — | |
| SCHEMBL85365 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL631112 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL1004841 | 0.62 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10374258-B2 | Cyclobutenedione derivative, nonaqueous electrolytic solution, and lithium ion secondary battery | NEC CORPORATION (JP) | 2019-08-06 | — | — | US | disclosed |
| US-20170210764-A1 | CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY | NEC CORPORATION (JP) | 2017-07-27 | — | — | US | disclosed |
| US-20170210764-A1 | CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY | NEC CORPORATION (JP) | 2017-07-27 | — | — | US | disclosed |
| US-20170210764-A1 | CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY | NEC CORPORATION (JP) | 2017-07-27 | — | — | US | disclosed |
| US-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | disclosed |