⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9935380 | 0.93 | — | — | |
| SCHEMBL9935334 | 0.83 | PDE4B (0.31) | — | |
| SCHEMBL9933583 | 0.82 | — | — | |
| SCHEMBL9933898 | 0.81 | — | — | |
| SCHEMBL9934259 | 0.79 | HTR5A (0.30) | — | |
| SCHEMBL9935460 | 0.79 | MKNK1 (0.31) | — | |
| SCHEMBL9935537 | 0.78 | CYP4F2 (0.30) | — | |
| SCHEMBL9934345 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL9935240 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL9935967 | 0.75 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8476287-B2 | 3-hydroxy-5-arylisothiazole derivative | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2013-07-02 | — | — | US | disclosed |
| US-8455500-B2 | 3-hydroxy-5-arylisoxazole derivative | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2013-06-04 | — | — | US | disclosed |
| EP-2518060-A1 | NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE | Mochida Pharmaceutical Co., Ltd. (JP) | 2012-10-31 | — | — | EP | disclosed |
| EP-2495238-A1 | NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE | Mochida Pharmaceutical Co., Ltd. (JP) | 2012-09-05 | — | — | EP | disclosed |
| US-20120220772-A1 | NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2012-08-30 | — | — | US | disclosed |
| US-20120157459-A1 | NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2012-06-21 | — | — | US | disclosed |