⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17811477 | 0.94 | RAB9A (0.33) | — | |
| SCHEMBL17811469 | 0.77 | RAB9A (0.48) | — | |
| SCHEMBL17811468 | 0.73 | MEN1 (0.53) | — | |
| SCHEMBL17811491 | 0.71 | ACHE (0.42) | — | |
| SCHEMBL17815537 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL20306696 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL17811536 | 0.70 | MEN1 (0.62) | — | |
| SCHEMBL17811470 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL6937372 | 0.65 | ALDH1A1 (0.56) | — | |
| SCHEMBL17553084 | 0.65 | ALDH1A1 (0.50) | — |
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-20160159956-A1 | Polymerisation Initiators | TRINSEO EUROPE GMBH (CH) | 2016-06-09 | — | — | US | disclosed |