⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9956215 | 0.80 | — | — | |
| SCHEMBL15945376 | 0.80 | KMT2A (0.48) | — | |
| SCHEMBL11863005 | 0.76 | — | — | |
| SCHEMBL10044364 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL14559794 | 0.73 | — | — | |
| SCHEMBL8723976 | 0.73 | — | — | |
| SCHEMBL10083524 | 0.71 | HSD17B10 (0.44) | — | |
| SCHEMBL14004126 | 0.71 | — | — | |
| SCHEMBL11859953 | 0.71 | — | — | |
| SCHEMBL11849535 | 0.71 | — | — |
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 |