⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15330240 | 0.87 | KMT2A (0.32) | — | |
| SCHEMBL748421 | 0.83 | — | — | |
| SCHEMBL29953441 | 0.81 | — | — | |
| SCHEMBL28469210 | 0.80 | — | — | |
| SCHEMBL15331915 | 0.78 | HTR2C (0.32) | — | |
| SCHEMBL29954017 | 0.78 | — | — | |
| SCHEMBL15332614 | 0.77 | ADRA1A (0.33) | — | |
| SCHEMBL29953649 | 0.77 | KMT2A (0.43) | — | |
| SCHEMBL2556996 | 0.77 | NPC1 (0.33) | — | |
| SCHEMBL15333182 | 0.75 | SMN1; SMN2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110511216-B | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2020-09-11 | — | — | CN | disclosed |