⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3946293 | 0.98 | — | — | |
| SCHEMBL3938829 | 0.77 | MAPT (0.42) | — | |
| SCHEMBL7426721 | 0.73 | — | — | |
| SCHEMBL12489591 | 0.70 | — | — | |
| SCHEMBL9978972 | 0.68 | — | — | |
| Acetonitrile SCHEMBL3946566 | 0.67 | HSP90AA1 (0.30) | — | |
| SCHEMBL3936270 | 0.67 | — | — | |
| SCHEMBL3939674 | 0.66 | MAP3K7 (0.33) | — | |
| SCHEMBL7205484 | 0.65 | MAP3K7 (0.30) | — | |
| SCHEMBL4584063 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |