⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1352862 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL1352863 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL13571286 | 0.78 | EP300 (0.50) | — | |
| SCHEMBL13571289 | 0.78 | EP300 (0.50) | — | |
| SCHEMBL13571288 | 0.78 | EP300 (0.50) | — | |
| SCHEMBL12074800 | 0.78 | — | — | |
| SCHEMBL72617 | 0.73 | — | — | |
| SCHEMBL8861683 | 0.73 | — | — | |
| SCHEMBL8861681 | 0.73 | — | — | |
| SCHEMBL504380 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3301098-A1 | PROCESS FOR THE PREPARATION OF A LIGAND FOR A CATALYST | Borealis AG (AT) | 2018-04-04 | — | — | EP | disclosed |