⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10418479 | 0.92 | — | — | |
| SCHEMBL5754375 | 0.81 | — | — | |
| SCHEMBL8440343 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL1938236 | 0.73 | — | — | |
| SCHEMBL28610450 | 0.71 | — | — | |
| SCHEMBL6676785 | 0.71 | — | — | |
| SCHEMBL1015732 | 0.71 | — | — | |
| SCHEMBL21980970 | 0.71 | — | — | |
| SCHEMBL6336160 | 0.71 | — | — | |
| SCHEMBL481638 | 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-105669658-A | Refinement method of afatinib | 北京民康百草医药科技有限公司 | 2016-06-15 | — | — | CN | disclosed |
| EP-0191542-A1 | Arylcyclobutylalkyl amines and their use as antidepressive medicines | The Boots Company PLC (GB) | 1986-08-20 | — | — | EP | disclosed |