⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL694841 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3273038 | 0.98 | SMARCA2 (0.49) | — | |
| SCHEMBL30851415 | 0.77 | — | — | |
| SCHEMBL883720 | 0.77 | — | — | |
| SCHEMBL16870255 | 0.77 | SMARCA2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL16860817 | 0.76 | SMARCA2 (0.50) | — | |
| SCHEMBL13407710 | 0.75 | IDO1 (0.57) | — | |
| SCHEMBL20748625 | 0.75 | KDM4E (0.56) | — | |
| SCHEMBL1759892 | 0.74 | GOT1 (0.37) | — | |
| SCHEMBL9278345 | 0.74 | SMARCA2 (0.65) | — |
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-112585128-B | Pyrazole derivatives as MALT1 inhibitors | 詹森药业有限公司 | 2023-02-21 | — | — | CN | disclosed |