⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1767760 | 0.88 | DGAT1 (0.35) | — | |
| SCHEMBL16203617 | 0.74 | ACHE (0.35) | — | |
| SCHEMBL20746386 | 0.73 | — | — | |
| SCHEMBL7605831 | 0.72 | DGAT1 (0.31) | — | |
| SCHEMBL7683886 | 0.72 | PDE10A (0.30) | — | |
| SCHEMBL3939670 | 0.71 | TBXAS1 (0.34) | — | |
| SCHEMBL24828571 | 0.71 | — | — | |
| SCHEMBL27943069 | 0.70 | MCL1 (0.33) | — | |
| SCHEMBL3574886 | 0.70 | DGAT1 (0.42) | — | |
| SCHEMBL9638271 | 0.69 | DGAT1 (0.41) | — |
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 |