⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3103357 | 0.73 | CA1 (0.41) | — | |
| SCHEMBL10052945 | 0.72 | CA1 (0.44) | — | |
| SCHEMBL18549799 | 0.68 | — | — | |
| SCHEMBL5479566 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL30823381 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL2821130 | 0.63 | — | — | |
| SCHEMBL942441 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL1262713 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL30304789 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL7903854 | 0.61 | ALDH1A1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334728-B1 | LEAD-FREE CONDUCTIVE COMPOSITIONS AND METHODS OF USING THEM | ALPHA ASSEMBLY SOLUTIONS INC (US) | 2018-03-21 | — | — | EP | claimed |