⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20910881 | 0.77 | AKR1C3 (0.52) | — | |
| SCHEMBL1832720 | 0.74 | — | — | |
| SCHEMBL337228 | 0.74 | — | — | |
| SCHEMBL22746212 | 0.73 | — | — | |
| SCHEMBL11150202 | 0.73 | — | — | |
| SCHEMBL983745 | 0.72 | — | — | |
| SCHEMBL1202767 | 0.72 | — | — | |
| SCHEMBL429044 | 0.72 | — | — | |
| SCHEMBL983744 | 0.72 | — | — | |
| SCHEMBL1101541 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109824548-B | Simple preparation method of N-acyl compound | 武汉理工大学 | 2020-09-15 | — | — | CN | disclosed |
| CN-109824548-A | A kind of simple preparation method of N- acyl compounds | 武汉理工大学 | 2019-05-31 | — | — | CN | disclosed |