⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6535627 | 0.90 | — | — | |
| SCHEMBL28097245 | 0.88 | — | — | |
| SCHEMBL9492238 | 0.88 | — | — | |
| SCHEMBL15011404 | 0.87 | — | — | |
| SCHEMBL7902096 | 0.85 | — | — | |
| SCHEMBL28714597 | 0.84 | — | — | |
| SCHEMBL93963 | 0.84 | — | — | |
| SCHEMBL28122096 | 0.84 | — | — | |
| SCHEMBL21175575 | 0.83 | — | — | |
| SCHEMBL11580283 | 0.80 | — | — |
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-3944544-A | BACTERICIDE | E. R. SQUIBB & SONS, INC. (US) | 1976-03-16 | — | — | US | disclosed |