⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL255965 | 1.00 | — | — | |
| SCHEMBL26632877 | 0.84 | HPGD (0.43) | — | |
| SCHEMBL31001736 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL255970 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL9079410 | 0.78 | ENPP2 (0.34) | — | |
| Pyrrole SCHEMBL28505383 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL11619648 | 0.76 | MEN1 (0.41) | — | |
| SCHEMBL17933528 | 0.74 | HPGD (0.37) | — | |
| SCHEMBL2160748 | 0.73 | HPGD (0.47) | — | |
| SCHEMBL23813034 | 0.71 | ALDH1A1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116693417-B | Synthesis method of oxime compound | 华中科技大学 | 2025-01-28 | — | — | CN | disclosed |
| CN-118598898-A | Synthetic method of non-natural alpha-amino acid derivative | 华中科技大学 | 2024-09-06 | — | — | CN | disclosed |
| CN-116693417-A | Synthesis method of oxime compound | 华中科技大学 | 2023-09-05 | — | — | CN | disclosed |