⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL222182 | 0.82 | — | — | |
| SCHEMBL72745 | 0.68 | — | — | |
| SCHEMBL16938287 | 0.67 | — | — | |
| Methane SCHEMBL2913020 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6744530 | 0.63 | — | — | |
| SCHEMBL4420181 | 0.63 | — | — | |
| SCHEMBL7764075 | 0.63 | — | — | |
| Benzene SCHEMBL5194700 | 0.56 | TP53 (0.33) | — | |
| Benzene SCHEMBL73337 | 0.56 | TP53 (0.33) | — | |
| SCHEMBL10978193 | 0.54 | — | — |
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-20100305195-A1 | MICRORNA MEDIATOR OF CARDIOMYOPATHY AND HEART FAILURE | THE UAB RESEARCH FOUNDATION (US) | 2010-12-02 | — | — | US | disclosed |