⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630980 | 0.69 | — | — | |
| SCHEMBL21251152 | 0.67 | — | — | |
| SCHEMBL27621970 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL18521876 | 0.59 | — | — | |
| SCHEMBL21794797 | 0.59 | HMBS (0.48) | — | |
| SCHEMBL20261216 | 0.58 | SELL (0.40) | — | |
| SCHEMBL12621 | 0.58 | RAPGEF4 (0.52) | — | |
| SCHEMBL30668 | 0.58 | HDAC1 (0.48) | — | |
| SCHEMBL7246818 | 0.58 | — | — | |
| SCHEMBL21737078 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023139479-A1 | SUBSTITUTED BICYCLIC HETEROCYCLES AS MALT-1 INHIBITORS | AURIGENE ONCOLOGY LIMITED (IN) | 2023-07-27 | — | — | WO | disclosed |