⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9926467 | 0.48 | KMT2A (0.35) | — | |
| SCHEMBL12269060 | 0.44 | GSK3A (0.37) | — | |
| SCHEMBL13451511 | 0.44 | — | — | |
| SCHEMBL17918622 | 0.44 | GSK3A (0.37) | — | |
| SCHEMBL17916070 | 0.44 | GSK3A (0.37) | — | |
| SCHEMBL6850987 | 0.44 | GSK3A (0.44) | — | |
| SCHEMBL133474 | 0.40 | GSK3A (0.39) | — | |
| SCHEMBL16660165 | 0.40 | — | — | |
| SCHEMBL23894741 | 0.39 | GSK3A (0.38) | — | |
| SCHEMBL13912864 | 0.39 | — | — |
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-2009157938-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER | CV THERAPEUTICS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |