⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16143771 | 0.88 | — | — | |
| Propylene Oxide SCHEMBL5703283 | 0.83 | — | — | |
| SCHEMBL29200 | 0.71 | — | — | |
| Propylene Oxide SCHEMBL19463496 | 0.66 | — | — | |
| SCHEMBL10794776 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL24402926 | 0.62 | — | — | |
| SCHEMBL20909811 | 0.62 | — | — | |
| SCHEMBL9242710 | 0.62 | — | — | |
| SCHEMBL3194522 | 0.62 | — | — | |
| SCHEMBL194540 | 0.62 | LMNA (0.42) | — |
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-20080119402-A1 | Compositions and methods for the inhibition of dishevelled proteins | ZHENG JIE | 2008-05-22 | — | — | US | disclosed |