⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021691 | 0.77 | — | — | |
| SCHEMBL355733 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL7788261 | 0.72 | — | — | |
| SCHEMBL7796366 | 0.71 | FDPS (0.34) | — | |
| SCHEMBL1537255 | 0.68 | — | — | |
| SCHEMBL3692897 | 0.67 | — | — | |
| SCHEMBL22038440 | 0.66 | — | — | |
| SCHEMBL2172457 | 0.66 | — | — | |
| SCHEMBL2888439 | 0.64 | — | — | |
| SCHEMBL9657394 | 0.64 | — | — |
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-5554298-A | Steel mill flume water treatment | NALCO CHEMICAL COMPANY (US) | 1996-09-10 | — | — | US | disclosed |