⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2574668 | 0.70 | — | — | |
| SCHEMBL377532 | 0.67 | — | — | |
| SCHEMBL137063 | 0.65 | — | — | |
| SCHEMBL4758979 | 0.65 | — | — | |
| SCHEMBL5573210 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL2492577 | 0.63 | — | — | |
| SCHEMBL7266312 | 0.63 | — | — | |
| SCHEMBL234175 | 0.63 | — | — | |
| SCHEMBL4306011 | 0.60 | — | — | |
| SCHEMBL7599417 | 0.60 | — | — |
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-5356908-A | Agriculture | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |