⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5789731 | 0.85 | — | — | |
| SCHEMBL1149811 | 0.76 | — | — | |
| SCHEMBL4410332 | 0.76 | HDAC4 (0.30) | — | |
| SCHEMBL9421863 | 0.59 | — | — | |
| SCHEMBL7375136 | 0.59 | NPC1 (0.31) | — | |
| SCHEMBL2541064 | 0.57 | — | — | |
| SCHEMBL12132482 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL10135153 | 0.56 | — | — | |
| SCHEMBL10042 | 0.53 | — | — | |
| SCHEMBL8276822 | 0.53 | — | — |
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-115160305-A | Amide compound containing 4, 5-dihydroisoxazole, salt thereof, preparation method and application | 华东理工大学 | 2022-10-11 | — | — | CN | disclosed |