⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31125458 | 0.82 | MAPK1 (0.35) | — | |
| SCHEMBL31125399 | 0.76 | — | — | |
| SCHEMBL15326761 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL26907381 | 0.69 | ATM (0.32) | — | |
| SCHEMBL27752432 | 0.68 | MGLL (0.31) | — | |
| SCHEMBL8400082 | 0.68 | BRD4 (0.33) | — | |
| SCHEMBL17776326 | 0.68 | MGLL (0.33) | — | |
| SCHEMBL21100434 | 0.68 | MGLL (0.33) | — | |
| SCHEMBL24102291 | 0.68 | EPHX1 (0.43) | — | |
| SCHEMBL15591345 | 0.67 | CCNE1 (0.34) | — |
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-113195053-B | Amino acid compounds and methods of use | 普利安特治疗公司 | 2024-08-30 | — | — | CN | disclosed |