⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10342295 | 0.75 | — | — | |
| SCHEMBL11198758 | 0.73 | RAB9A (0.35) | — | |
| SCHEMBL4112008 | 0.72 | — | — | |
| SCHEMBL7694417 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL5783147 | 0.71 | — | — | |
| SCHEMBL1979609 | 0.71 | — | — | |
| SCHEMBL8668893 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL15832565 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1758968 | 0.69 | PPARA (0.43) | — | |
| SCHEMBL4104171 | 0.68 | PPARA (0.49) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107602497-B | Preparation method of 3-amino-5-alkylisoxazole | 浦拉司科技（上海）有限责任公司 | 2020-05-22 | — | — | CN | claimed |
| CN-107602497-B | Preparation method of 3-amino-5-alkylisoxazole | 浦拉司科技（上海）有限责任公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-107602497-B | Preparation method of 3-amino-5-alkylisoxazole | 浦拉司科技（上海）有限责任公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-107602497-B | Preparation method of 3-amino-5-alkylisoxazole | 浦拉司科技（上海）有限责任公司 | 2020-05-22 | — | — | CN | disclosed |
| US-20040106663-A1 | Inhibitors of fungal invasion | MICROBIA, INC. | 2004-06-03 | — | — | US | disclosed |
| WO-2004021997-A2 | INHIBITORS OF FUNGAL INVASION | MICROBIA, INC. (US) | 2004-03-18 | — | — | WO | disclosed |
| EP-0004149-B1 | PREPARATION OF 3-AMINO-5(T-BUTYL) ISOXAZOLE | ELI LILLY AND COMPANY (US) | 1983-03-02 | — | — | EP | disclosed |
| US-4259501-A | Method for preparing 3-amino-5-(t-butyl)isoxazole | ELI LILLY AND COMPANY (US) | 1981-03-31 | — | — | US | disclosed |
| EP-0004149-A1 | Preparation of 3-amino-5(t-butyl) isoxazole | ELI LILLY AND COMPANY (US) | 1979-09-19 | — | — | EP | disclosed |