⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25530694 | 1.00 | — | — | |
| SCHEMBL25530700 | 1.00 | — | — | |
| SCHEMBL29340331 | 0.85 | CA1 (0.31) | — | |
| SCHEMBL17465657 | 0.84 | — | — | |
| SCHEMBL22037067 | 0.83 | — | — | |
| SCHEMBL10226702 | 0.82 | — | — | |
| SCHEMBL25530706 | 0.82 | — | — | |
| SCHEMBL15929732 | 0.82 | — | — | |
| SCHEMBL10226710 | 0.82 | — | — | |
| SCHEMBL19756530 | 0.81 | ATM (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 |
|---|---|---|---|---|---|---|---|
| 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 |