⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29010298 | 0.88 | TSHR (0.34) | — | |
| SCHEMBL14053085 | 0.80 | — | — | |
| SCHEMBL6692661 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL15241 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL587462 | 0.77 | — | — | |
| Acetonitrile SCHEMBL8132576 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL10386757 | 0.74 | MCL1 (0.36) | — | |
| SCHEMBL15336 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL177731 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL11907687 | 0.74 | ALDH1A1 (0.43) | — |
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-3325239-A1 | MANUFACTURED WOOD PRODUCTS AND METHODS OF PRODUCTION | 3RT Holding Pty Ltd. (AU) | 2018-05-30 | — | — | EP | disclosed |