⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4809247 | 1.00 | — | — | |
| SCHEMBL6466831 | 1.00 | — | — | |
| SCHEMBL3461474 | 0.75 | — | — | |
| SCHEMBL6466749 | 0.75 | — | — | |
| SCHEMBL7565200 | 0.73 | — | — | |
| SCHEMBL6696081 | 0.71 | — | — | |
| SCHEMBL7260890 | 0.69 | — | — | |
| SCHEMBL2264879 | 0.69 | — | — | |
| SCHEMBL8633356 | 0.69 | — | — | |
| SCHEMBL10788422 | 0.69 | — | — |
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-8071625-B2 | E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction | CYTOKINETICS, INC. (US) | 2011-12-06 | — | — | US | claimed |