⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21765845 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL21158804 | 0.77 | PHF8 (0.61) | — | |
| SCHEMBL8847986 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL11413136 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL9640 | 0.73 | — | — | |
| SCHEMBL18601411 | 0.73 | — | — | |
| SCHEMBL9396873 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL11668503 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3021324 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5739091 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | claimed |
| US-20080255155-A1 | KINASE INHIBITORS AND USES THEREOF | METHLYGENE INC. (CA) | 2008-10-16 | — | — | US | disclosed |
| EP-1962846-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007059323-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |