⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19973072 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL2786474 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL20990708 | 0.67 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL11032285 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL5508352 | 0.67 | ALDH1A1 (0.60) | — | |
| SCHEMBL3708976 | 0.65 | ALDH1A1 (0.64) | — | |
| SCHEMBL13349939 | 0.65 | ALDH1A1 (0.64) | — | |
| SCHEMBL19973070 | 0.65 | ALDH1A1 (0.64) | — | |
| SCHEMBL22826529 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL20500086 | 0.59 | ALDH1A1 (0.32) | — |
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-116396279-B | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-116396279-A | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2023-07-07 | — | — | CN | disclosed |