⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25560448 | 0.90 | — | — | |
| SCHEMBL25560478 | 0.86 | — | — | |
| SCHEMBL25532169 | 0.86 | ROCK2 (0.38) | — | |
| SCHEMBL25554295 | 0.86 | ROCK2 (0.38) | — | |
| SCHEMBL22254530 | 0.86 | ROCK2 (0.38) | — | |
| SCHEMBL22254843 | 0.82 | — | — | |
| SCHEMBL22254810 | 0.82 | — | — | |
| SCHEMBL25531958 | 0.82 | — | — | |
| SCHEMBL25552049 | 0.82 | — | — | |
| SCHEMBL25531940 | 0.82 | — | — |
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-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |