⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2890302 | 0.76 | — | — | |
| SCHEMBL2888790 | 0.74 | — | — | |
| SCHEMBL5321218 | 0.74 | ALDH1A1 (0.33) | — | |
| Potassium SCHEMBL6131356 | 0.73 | — | — | |
| SCHEMBL5277062 | 0.73 | — | — | |
| SCHEMBL5279909 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL11283492 | 0.73 | — | — | |
| SCHEMBL5278977 | 0.73 | — | — | |
| SCHEMBL5282209 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL5835857 | 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 |
|---|---|---|---|---|---|---|---|
| CN-107011348-A | It is used as the heteroaryl pyridines ketone and azepine pyridinone compounds of the inhibitor of BTK activity | 霍夫曼-拉罗奇有限公司 | 2017-08-04 | — | — | CN | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |