⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2840452 | 0.86 | — | — | |
| SCHEMBL21278211 | 0.74 | AOC3 (0.37) | — | |
| SCHEMBL2842032 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL28986830 | 0.72 | — | — | |
| SCHEMBL21278268 | 0.71 | PSEN1 (0.32) | — | |
| SCHEMBL2845445 | 0.70 | — | — | |
| SCHEMBL21278599 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL21278163 | 0.70 | ADORA2A (0.37) | — | |
| SCHEMBL21278141 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL6756534 | 0.67 | CA14 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2195328-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Incorporated (US) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009023193-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2009-02-19 | — | — | WO | disclosed |