⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27480902 | 0.91 | CA2 (0.32) | — | |
| SCHEMBL5014121 | 0.84 | — | — | |
| SCHEMBL9233307 | 0.79 | — | — | |
| SCHEMBL11613915 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL9823681 | 0.78 | — | — | |
| SCHEMBL2645752 | 0.73 | — | — | |
| SCHEMBL31234346 | 0.73 | — | — | |
| SCHEMBL18910408 | 0.72 | — | — | |
| SCHEMBL9489846 | 0.72 | SPHK1 (0.42) | — | |
| SCHEMBL22481049 | 0.70 | NR1I2 (0.33) | — |
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-20080188079-A1 | METAL-POLISHING COMPOSITION AND CHEMICAL MECHANICAL POLISHING METHOD BY USING THE SAME | FUJIFILM CORPORATION (JP) | 2008-08-07 | — | — | US | disclosed |
| US-20060084690-A1 | Isoxazole derivatives | MOMOSE YU | 2006-04-20 | — | — | US | disclosed |
| US-7022725-B2 | Isoxazole derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-04-04 | — | — | US | disclosed |
| US-20040048908-A1 | Isoxazole derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-03-11 | — | — | US | disclosed |
| EP-1340749-A1 | ISOXAZOLE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2003-09-03 | — | — | EP | disclosed |
| WO-1996039395-A1 | MICROBICIDAL (MERCAPTO-TRIAZOLYLMETHYL)-BUTANOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-12 | — | — | WO | disclosed |