⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7882139 | 1.00 | — | — | |
| SCHEMBL12518817 | 1.00 | — | — | |
| SCHEMBL18357793 | 0.77 | — | — | |
| SCHEMBL7887282 | 0.75 | — | — | |
| SCHEMBL9977687 | 0.75 | — | — | |
| SCHEMBL12687028 | 0.75 | — | — | |
| SCHEMBL17733558 | 0.74 | EPHX2 (0.32) | — | |
| SCHEMBL21129713 | 0.74 | — | — | |
| SCHEMBL24302851 | 0.73 | — | — | |
| SCHEMBL20708073 | 0.73 | — | — |
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-3766879-A1 | PESTICIDAL PYRAZOLE DERIVATIVES | BASF SE (DE) | 2021-01-20 | — | — | EP | disclosed |
| WO-2017043636-A1 | NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME | 大日本住友製薬株式会社 | 2017-03-16 | — | — | WO | disclosed |
| EP-1618087-B1 | ANTIBACTERIAL AGENTS | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2012-06-13 | — | — | EP | disclosed |
| EP-1887000-A1 | ARYLACETATE DERIVATIVE HAVING ISOXAZOLE SKELETON | Shionogi Co., Ltd. (JP) | 2008-02-13 | — | — | EP | disclosed |