⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1631839 | 0.88 | DPP4 (0.58) | — | |
| SCHEMBL8304001 | 0.88 | DPP4 (0.58) | — | |
| SCHEMBL16935720 | 0.86 | DPP4 (0.51) | — | |
| SCHEMBL1630456 | 0.80 | SMYD3 (0.37) | — | |
| SCHEMBL1633350 | 0.80 | — | — | |
| SCHEMBL1632385 | 0.74 | — | — | |
| SCHEMBL1631028 | 0.72 | DPP4 (0.42) | — | |
| SCHEMBL3746636 | 0.70 | — | — | |
| SCHEMBL1860907 | 0.70 | DPP4 (0.40) | — | |
| SCHEMBL2578150 | 0.69 | DPP4 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7932270-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2011-04-26 | — | — | US | claimed |