⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14218669 | 0.87 | HPGD (0.47) | — | |
| SCHEMBL1632770 | 0.87 | HPGD (0.47) | — | |
| SCHEMBL8466470 | 0.85 | HPGD (0.54) | — | |
| SCHEMBL8459065 | 0.85 | HPGD (0.54) | — | |
| SCHEMBL20470740 | 0.82 | — | — | |
| SCHEMBL27398094 | 0.80 | — | — | |
| SCHEMBL1632385 | 0.80 | — | — | |
| SCHEMBL11844189 | 0.80 | — | — | |
| SCHEMBL29895067 | 0.78 | NPC1 (0.47) | — | |
| SCHEMBL17665116 | 0.78 | DPP4 (0.33) | — |
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 |