⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12003988 | 0.89 | NUDT1 (0.31) | — | |
| SCHEMBL9935625 | 0.77 | VDR (0.34) | — | |
| SCHEMBL9935244 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL9935516 | 0.76 | TP53 (0.37) | — | |
| SCHEMBL9935596 | 0.75 | — | — | |
| SCHEMBL12003994 | 0.75 | CYP2D6 (0.34) | — | |
| SCHEMBL9935159 | 0.73 | APP (0.36) | — | |
| SCHEMBL9935356 | 0.73 | NOS3 (0.33) | — | |
| SCHEMBL9934337 | 0.73 | KCNJ5 (0.31) | — | |
| SCHEMBL9934101 | 0.73 | MCL1 (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104710381-A | Novel 3-hydroxy-5-arylisothiazole derivative | MOCHIDA PHARM CO LTD | 2015-06-17 | — | — | CN | disclosed |
| CN-102712610-B | Novel 3-hydroxy-5-arylisothiazole derivatives | MOCHIDA PHARM CO LTD | 2015-03-04 | — | — | CN | disclosed |
| 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 |