⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28690988 | 0.94 | — | — | |
| SCHEMBL28704584 | 0.90 | — | — | |
| SCHEMBL22911601 | 0.84 | — | — | |
| SCHEMBL22911595 | 0.77 | — | — | |
| SCHEMBL28692213 | 0.76 | — | — | |
| SCHEMBL28413761 | 0.75 | — | — | |
| SCHEMBL22911598 | 0.74 | — | — | |
| SCHEMBL28706389 | 0.73 | — | — | |
| SCHEMBL22911591 | 0.72 | — | — | |
| SCHEMBL22911589 | 0.72 | — | — |
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-114163394-A | Chloromethyl-containing isoxazoline derivatives and use thereof | 宁夏苏融达化工有限公司 | 2022-03-11 | — | — | CN | disclosed |