⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2888790 | 0.74 | — | — | |
| Potassium SCHEMBL6131356 | 0.73 | — | — | |
| SCHEMBL5283879 | 0.73 | — | — | |
| SCHEMBL5280090 | 0.73 | — | — | |
| SCHEMBL1244023 | 0.73 | — | — | |
| SCHEMBL10460038 | 0.73 | — | — | |
| SCHEMBL5277277 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL11283492 | 0.73 | — | — | |
| SCHEMBL5279318 | 0.72 | — | — | |
| SCHEMBL5276095 | 0.72 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |