⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22651230 | 0.75 | ADORA2A (0.33) | — | |
| SCHEMBL2371337 | 0.65 | LMNA (0.39) | — | |
| SCHEMBL10671138 | 0.64 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL9127003 | 0.61 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL7745114 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL1830380 | 0.58 | LMNA (0.40) | — | |
| SCHEMBL9123231 | 0.58 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL24672012 | 0.58 | HTT (0.33) | — | |
| SCHEMBL11916225 | 0.57 | PDE10A (0.39) | — | |
| SCHEMBL16883820 | 0.57 | TDP1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1646390-B1 | A1 ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-10-08 | — | — | EP | disclosed |