⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12287122 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL13354674 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL1476871 | 0.80 | LMNA (0.37) | — | |
| SCHEMBL13843587 | 0.80 | TDP1 (0.31) | — | |
| SCHEMBL22444825 | 0.77 | — | — | |
| SCHEMBL8950447 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL430875 | 0.75 | — | — | |
| SCHEMBL3410053 | 0.75 | — | — | |
| SCHEMBL12345574 | 0.75 | — | — | |
| SCHEMBL16615781 | 0.75 | DNM1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120164044-A1 | Vinylepoxide-Amine Acid Gas Adsorption-Desorption Polymers and Oligomers, Processes for Preparing Same, and Uses Thereof | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2012-06-28 | — | — | US | disclosed |