⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2269623 | 0.78 | — | — | |
| SCHEMBL2367392 | 0.73 | — | — | |
| SCHEMBL2271336 | 0.73 | — | — | |
| SCHEMBL126333 | 0.71 | — | — | |
| SCHEMBL15647000 | 0.71 | — | — | |
| SCHEMBL4077448 | 0.68 | — | — | |
| SCHEMBL4077238 | 0.68 | — | — | |
| SCHEMBL1459052 | 0.68 | — | — | |
| SCHEMBL2985605 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL301942 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532397-A | Substituted silyl alkylene amines | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-02 | — | — | US | disclosed |
| US-5529988-A | Substituted silyl alkylene amines | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-25 | — | — | US | disclosed |
| US-5384312-A | Substituted silyl alkylene amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-01-24 | — | — | US | disclosed |
| EP-0291787-B1 | Novel substituted silyl alkylene amines | MERRELL DOW PHARMA (US) | 1994-03-16 | — | — | EP | disclosed |
| EP-0291787-A1 | Novel substituted silyl alkylene amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-11-23 | — | — | EP | disclosed |