⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3845573 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL4197734 | 0.71 | — | — | |
| SCHEMBL21268302 | 0.71 | — | — | |
| SCHEMBL21268219 | 0.71 | — | — | |
| SCHEMBL21268262 | 0.71 | — | — | |
| SCHEMBL21268255 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL21268142 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL16395014 | 0.67 | SRC (0.44) | — | |
| SCHEMBL21268415 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL21268258 | 0.67 | ALDH1A1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| EP-1510516-A1 | PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2005-03-02 | — | — | EP | disclosed |