⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19475102 | 0.75 | ALDH1A1 (0.55) | — | |
| SCHEMBL243344 | 0.73 | — | — | |
| SCHEMBL157088 | 0.71 | — | — | |
| SCHEMBL27471054 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27266542 | 0.71 | — | — | |
| SCHEMBL3247663 | 0.71 | — | — | |
| SCHEMBL27901167 | 0.71 | ALDH1A1 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL27269056 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL28314845 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL11873822 | 0.67 | ALDH1A1 (0.56) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113527225-B | Acylyl thiadiazole derivative and preparation method and application thereof | 南昌大学 | 2022-11-18 | — | — | CN | claimed |
| CN-113527225-A | Acylyl thiadiazole derivative and preparation method and application thereof | 南昌大学 | 2021-10-22 | — | — | CN | claimed |
| CN-113527225-B | Acylyl thiadiazole derivative and preparation method and application thereof | 南昌大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-113527225-B | Acylyl thiadiazole derivative and preparation method and application thereof | 南昌大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-113527225-B | Acylyl thiadiazole derivative and preparation method and application thereof | 南昌大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-113527225-A | Acylyl thiadiazole derivative and preparation method and application thereof | 南昌大学 | 2021-10-22 | — | — | CN | disclosed |