⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210996 | 0.89 | GSK3B (0.33) | — | |
| SCHEMBL8511814 | 0.88 | — | — | |
| SCHEMBL212238 | 0.88 | P2RX4 (0.32) | — | |
| SCHEMBL209633 | 0.84 | ABL1 (0.34) | — | |
| SCHEMBL211802 | 0.84 | SYK (0.33) | — | |
| SCHEMBL211003 | 0.83 | CDK9 (0.32) | — | |
| SCHEMBL213724 | 0.83 | ABL1 (0.32) | — | |
| SCHEMBL209937 | 0.83 | GSK3B (0.33) | — | |
| SCHEMBL2861995 | 0.83 | ABL1 (0.34) | — | |
| SCHEMBL8509374 | 0.83 | — | — |
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 3 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-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 |