⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10641704 | 0.77 | CA12 (0.33) | — | |
| SCHEMBL897065 | 0.72 | CYP3A4 (0.39) | — | |
| SCHEMBL7096485 | 0.69 | — | — | |
| SCHEMBL87734 | 0.69 | — | — | |
| SCHEMBL3713143 | 0.67 | — | — | |
| SCHEMBL497484 | 0.67 | — | — | |
| SCHEMBL6177458 | 0.67 | CYP3A4 (0.37) | — | |
| SCHEMBL1297592 | 0.67 | — | — | |
| SCHEMBL7672951 | 0.67 | — | — | |
| SCHEMBL1715469 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0757042-A1 | Ortho-substituted 2-methoxyiminophenylaceticacid methylester | BASF Aktiengesellschaft (DE) | 1997-02-05 | — | — | EP | disclosed |