⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15710857 | 0.71 | — | — | |
| SCHEMBL2162946 | 0.71 | — | — | |
| SCHEMBL2658200 | 0.71 | — | — | |
| SCHEMBL15710856 | 0.71 | — | — | |
| SCHEMBL17338061 | 0.71 | — | — | |
| SCHEMBL2162947 | 0.71 | — | — | |
| SCHEMBL7614582 | 0.69 | — | — | |
| SCHEMBL1287802 | 0.69 | — | — | |
| SCHEMBL1287804 | 0.69 | — | — | |
| SCHEMBL2971353 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0353752-B1 | N-2, 3-butadienyl triaminoalkane derivatives | MERRELL DOW PHARMA (US) | 1994-01-05 | — | — | EP | disclosed |
| US-4935449-A | TREATING A MALARIAL INFECTION | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-06-19 | — | — | US | disclosed |
| EP-0353752-A1 | N-2, 3-butadienyl triaminoalkane derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-02-07 | — | — | EP | disclosed |