⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5154431 | 0.69 | — | — | |
| SCHEMBL3244147 | 0.68 | — | — | |
| SCHEMBL2140847 | 0.67 | FABP1 (0.47) | — | |
| SCHEMBL11131129 | 0.65 | KCNH3 (0.40) | — | |
| SCHEMBL9940995 | 0.65 | — | — | |
| SCHEMBL5336363 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL4163797 | 0.64 | — | — | |
| SCHEMBL4562542 | 0.64 | — | — | |
| SCHEMBL1150196 | 0.64 | KDM4E (0.51) | — | |
| SCHEMBL99646 | 0.63 | CA12 (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050171358-A1 | Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide | SDS BIOTECH K.K. (JP) | 2005-08-04 | — | — | US | disclosed |