⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14336264 | 0.76 | MCL1 (0.34) | — | |
| SCHEMBL19414066 | 0.74 | KMT2A (0.41) | — | |
| SCHEMBL14355321 | 0.72 | KDM5A (0.30) | — | |
| SCHEMBL25588296 | 0.71 | CTSK (0.30) | — | |
| SCHEMBL25586041 | 0.71 | CTSK (0.30) | — | |
| SCHEMBL13965302 | 0.71 | POLB (0.45) | — | |
| SCHEMBL20985198 | 0.71 | — | — | |
| SCHEMBL7748293 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL18699446 | 0.69 | — | — | |
| SCHEMBL22661082 | 0.68 | BCHE (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3377474-B1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2023-08-16 | — | — | EP | disclosed |