⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8462739 | 0.90 | L3MBTL1 (0.48) | — | |
| SCHEMBL17427084 | 0.81 | PARP1 (0.47) | — | |
| 2-Picolinic Acid SCHEMBL906741 | 0.80 | LMNA (0.67) | — | |
| SCHEMBL5191820 | 0.80 | KDM4E (0.41) | — | |
| SCHEMBL5191813 | 0.80 | KDM4E (0.41) | — | |
| SCHEMBL13859943 | 0.78 | MAPT (0.58) | — | |
| SCHEMBL8330114 | 0.78 | LMNA (0.58) | — | |
| SCHEMBL5473648 | 0.77 | HSP90AA1 (0.62) | — | |
| SCHEMBL5879545 | 0.77 | PARP1 (0.81) | — | |
| SCHEMBL16429549 | 0.77 | L3MBTL1 (0.41) | — |
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-117561241-A | Inhibitors of transglutaminase | 策迪拉有限公司 | 2024-02-13 | — | — | CN | disclosed |