⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11215126 | 0.84 | CYP2A6 (0.31) | — | |
| SCHEMBL2690986 | 0.78 | — | — | |
| SCHEMBL5109192 | 0.69 | LTB4R (0.34) | — | |
| SCHEMBL13613715 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL5799093 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL5788333 | 0.67 | — | — | |
| SCHEMBL4788947 | 0.67 | ALOX5 (0.38) | — | |
| SCHEMBL5117305 | 0.67 | BCL2 (0.44) | — | |
| SCHEMBL11516976 | 0.66 | APOBEC3G (0.43) | — | |
| SCHEMBL4743163 | 0.65 | HTR2A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0073569-A1 | Process for the continuous production of alcohols | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-03-09 | — | — | EP | disclosed |