⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210661 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL211030 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL211031 | 0.98 | — | — | |
| SCHEMBL20565058 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL21195073 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL1454707 | 0.77 | — | — | |
| SCHEMBL9606767 | 0.77 | — | — | |
| SCHEMBL28318239 | 0.77 | — | — | |
| SCHEMBL15432970 | 0.76 | — | — | |
| SCHEMBL16301558 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895582-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2014-11-25 | — | — | US | disclosed |
| US-8759374-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20130053348-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | QIAN XIANGPING (US) | 2013-02-28 | — | — | US | disclosed |
| US-20120135964-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | QIAN XIANGPING (US) | 2012-05-31 | — | — | US | disclosed |
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20090275537-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2009-11-05 | — | — | US | disclosed |
| CN-1829689-A | Phenylmethylamine derivatives | ZERIA PHARM CO LTD (JP) | 2006-09-06 | — | — | CN | disclosed |