⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL13618453 | 0.80 | — | — | |
| Propanol SCHEMBL406872 | 0.79 | — | — | |
| Butyl Alcohol SCHEMBL19899819 | 0.79 | — | — | |
| 1-Pentanol SCHEMBL1331982 | 0.78 | — | — | |
| SCHEMBL23014958 | 0.75 | LMNA (0.43) | — | |
| Dodecanol SCHEMBL30493901 | 0.75 | — | — | |
| 1-Heptanol SCHEMBL31621708 | 0.75 | — | — | |
| Cetyl Alcohol SCHEMBL17714271 | 0.75 | LMNA (0.43) | — | |
| Cetyl Alcohol SCHEMBL17714279 | 0.75 | — | — | |
| Hexadecane SCHEMBL12473013 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018039521-A1 | DEUTERATED CENICRIVIROC | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-01 | — | — | WO | disclosed |
| US-20110294815-A1 | PROSTACYCLIN ANALOGS | CONCERT PHARMACEUTICALS, INC. | 2011-12-01 | — | — | US | disclosed |