⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10586677 | 0.75 | — | — | |
| SCHEMBL22234376 | 0.75 | — | — | |
| SCHEMBL14738349 | 0.71 | — | — | |
| SCHEMBL10801145 | 0.69 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11445157 | 0.69 | — | — | |
| SCHEMBL11445156 | 0.69 | — | — | |
| SCHEMBL11848230 | 0.69 | MDM2 (0.30) | — | |
| SCHEMBL20119618 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL11274773 | 0.67 | — | — | |
| SCHEMBL11318878 | 0.67 | — | — |
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 |