⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24873942 | 0.87 | — | — | |
| SCHEMBL23693409 | 0.86 | — | — | |
| SCHEMBL23693410 | 0.76 | — | — | |
| SCHEMBL14824789 | 0.66 | — | — | |
| SCHEMBL23692657 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL34472389 | 0.65 | HTR2A (0.34) | — | |
| SCHEMBL19230508 | 0.64 | HSP90AA1 (0.33) | — | |
| SCHEMBL13769564 | 0.63 | ALDH1A1 (0.48) | — | |
| SCHEMBL12386939 | 0.63 | MRGPRX4 (0.44) | — | |
| SCHEMBL23199051 | 0.63 | — | — |
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-2023280733-A1 | QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-01-12 | — | — | WO | disclosed |