⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19328999 | 0.75 | — | — | |
| SCHEMBL21929721 | 0.73 | EPHX1 (0.50) | — | |
| SCHEMBL9442948 | 0.73 | ALOX15 (0.47) | — | |
| SCHEMBL9442945 | 0.73 | ALOX15 (0.47) | — | |
| SCHEMBL11477950 | 0.71 | — | — | |
| SCHEMBL9162185 | 0.70 | — | — | |
| SCHEMBL11567732 | 0.68 | — | — | |
| SCHEMBL3069363 | 0.68 | EPHX1 (0.46) | — | |
| SCHEMBL875791 | 0.68 | EPHX1 (0.43) | — | |
| Isobutyramide SCHEMBL27673338 | 0.67 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101801940-B | Substituted isoxazoline compound and pest control agent | NISSAN CHEMICAL IND LTD | 2013-04-10 | — | — | CN | disclosed |
| CN-101801940-A | Substituted isoxazoline compound and pest control agent | NISSAN CHEMICAL IND LTD | 2010-08-11 | — | — | CN | disclosed |