⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25557302 | 0.93 | CNR2 (0.34) | — | |
| SCHEMBL22253963 | 0.93 | TRPV1 (0.30) | — | |
| SCHEMBL22254061 | 0.93 | TRPV1 (0.30) | — | |
| SCHEMBL22253964 | 0.93 | TRPV1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL22233704 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL22233419 | 0.93 | — | — | |
| SCHEMBL22254934 | 0.92 | CNR2 (0.30) | — | |
| SCHEMBL22254621 | 0.92 | CNR2 (0.30) | — | |
| SCHEMBL25548819 | 0.92 | CNR2 (0.30) | — | |
| SCHEMBL25548812 | 0.92 | CNR2 (0.30) | — |
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 |