⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9820823 | 0.79 | — | — | |
| SCHEMBL10419616 | 0.72 | — | — | |
| SCHEMBL9582438 | 0.71 | — | — | |
| SCHEMBL9581690 | 0.71 | — | — | |
| SCHEMBL8751032 | 0.71 | — | — | |
| SCHEMBL7465917 | 0.71 | — | — | |
| SCHEMBL1861309 | 0.71 | — | — | |
| SCHEMBL2918392 | 0.68 | — | — | |
| SCHEMBL2917852 | 0.68 | — | — | |
| SCHEMBL20495194 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | claimed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |