⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5850837 | 0.80 | CTSA (0.38) | — | |
| SCHEMBL6049700 | 0.78 | — | — | |
| SCHEMBL20129798 | 0.73 | — | — | |
| SCHEMBL18535483 | 0.73 | CTSA (0.38) | — | |
| SCHEMBL8332452 | 0.73 | — | — | |
| SCHEMBL1606169 | 0.69 | CTSA (0.40) | — | |
| SCHEMBL11048722 | 0.69 | — | — | |
| SCHEMBL11746863 | 0.69 | — | — | |
| SCHEMBL5323453 | 0.69 | — | — | |
| SCHEMBL11367484 | 0.69 | — | — |
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-4150124-A | INSECTICIDES, MITICIDES, FUNGICIDES | CELAMERCK GMBH & CO. KG (DE) | 1979-04-17 | — | — | US | disclosed |