⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20966 | 0.96 | — | — | |
| SCHEMBL28928889 | 0.84 | — | — | |
| SCHEMBL14759437 | 0.76 | KMT2A (0.35) | — | |
| SCHEMBL14759436 | 0.76 | KMT2A (0.35) | — | |
| SCHEMBL1219115 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL10815851 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL1219116 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL83351 | 0.71 | — | — | |
| SCHEMBL83352 | 0.71 | — | — | |
| SCHEMBL14759840 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778264-B1 | Tertiary amines having antimycotic and cholesterol lowering activity | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| EP-0778264-A1 | Tertiary amines having antimycotic and cholesterol lowering activity | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | disclosed |