⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7552953 | 0.79 | MEN1 (0.30) | — | |
| Sulfuric Acid SCHEMBL11722518 | 0.75 | — | — | |
| SCHEMBL5003886 | 0.69 | KDM4E (0.45) | — | |
| SCHEMBL23115271 | 0.69 | POLB (0.30) | — | |
| SCHEMBL5870085 | 0.69 | ARG1 (0.31) | — | |
| SCHEMBL8701041 | 0.67 | — | — | |
| SCHEMBL5498766 | 0.66 | — | — | |
| SCHEMBL13435199 | 0.66 | — | — | |
| SCHEMBL11391091 | 0.65 | USP2 (0.31) | — | |
| SCHEMBL3485597 | 0.65 | — | — |
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-20160368878-A1 | REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-12-22 | — | — | US | disclosed |
| US-20160319322-A1 | PATHOGEN DETECTION | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2016-11-03 | — | — | US | disclosed |