⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL216631 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL212935 | 0.79 | — | — | |
| SCHEMBL11296202 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL10582123 | 0.75 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL4969937 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL11671013 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL13894349 | 0.73 | — | — | |
| SCHEMBL36865 | 0.73 | — | — | |
| SCHEMBL12011204 | 0.73 | — | — | |
| 1,4-Butanediol SCHEMBL27601018 | 0.71 | SMN1; SMN2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1957189-A2 | NOVEL DISPERSANT AND COMPOSITIONS THEREOF | Lubrizol Limited (GB) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007111723-A2 | NOVEL DISPERSANT AND COMPOSITIONS THEREOF | LUBRIZOL LIMITED (GB) | 2007-10-04 | — | — | WO | disclosed |