⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24294493 | 0.88 | — | — | |
| SCHEMBL9611076 | 0.88 | SIGMAR1 (0.34) | — | |
| SCHEMBL21933626 | 0.88 | SIGMAR1 (0.34) | — | |
| SCHEMBL21933628 | 0.88 | SIGMAR1 (0.34) | — | |
| SCHEMBL25456758 | 0.85 | SIGMAR1 (0.35) | — | |
| SCHEMBL25533230 | 0.85 | — | — | |
| SCHEMBL22254630 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL24294203 | 0.81 | — | — | |
| SCHEMBL24294069 | 0.81 | SIGMAR1 (0.30) | — | |
| SCHEMBL18369768 | 0.80 | ALDH1A1 (0.32) | — |
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 2 patents. 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 |
| 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 |