⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL561132 | 0.87 | — | — | |
| SCHEMBL285819 | 0.86 | — | — | |
| SCHEMBL550470 | 0.84 | CA1 (0.34) | — | |
| SCHEMBL11202375 | 0.82 | — | — | |
| SCHEMBL9934016 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL523813 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL18279897 | 0.78 | — | — | |
| SCHEMBL3958845 | 0.78 | — | — | |
| SCHEMBL4071457 | 0.76 | — | — | |
| SCHEMBL15665904 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590969-A2 | THERAPEUTIC AGENTS 976 | AstraZeneca AB (SE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004588-A2 | THERAPEUTIC AGENTS 976 | ASTRAZENECA AB (SE) | 2012-01-12 | — | — | WO | disclosed |
| EP-1838693-A1 | PYRAZOLE DERIVATIVES AS PESTICIDES | Merial Ltd. (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006077070-A1 | CHEMICAL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF | MERIAL LTD. (US) | 2006-07-27 | — | — | WO | disclosed |