⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18538879 | 1.00 | MAPT (0.50) | — | |
| SCHEMBL13184240 | 0.94 | TP53 (0.53) | — | |
| SCHEMBL12847850 | 0.94 | MAPT (0.60) | — | |
| SCHEMBL10153805 | 0.92 | PKM (0.57) | — | |
| SCHEMBL12252064 | 0.92 | PKM (0.45) | — | |
| SCHEMBL5109896 | 0.91 | MAPT (0.62) | — | |
| SCHEMBL17777943 | 0.91 | MAPT (0.57) | — | |
| SCHEMBL8165558 | 0.89 | MAPT (0.66) | — | |
| SCHEMBL16809207 | 0.88 | SIGMAR1 (0.56) | — | |
| SCHEMBL17988441 | 0.88 | PKM (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |