⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8406349 | 0.80 | CYP3A4 (0.31) | — | |
| SCHEMBL8013876 | 0.78 | CYP3A4 (0.30) | — | |
| SCHEMBL1302789 | 0.76 | — | — | |
| SCHEMBL8402661 | 0.67 | — | — | |
| SCHEMBL8406574 | 0.63 | — | — | |
| Bicarbonate SCHEMBL11122149 | 0.62 | CYP2C19 (0.36) | — | |
| SCHEMBL11743501 | 0.59 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL23368 | 0.56 | — | — | |
| SCHEMBL502142 | 0.56 | — | — | |
| SCHEMBL111139 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5910619-A | Process for producing α-olefin oligomers | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-06-08 | — | — | US | disclosed |
| US-5856612-A | USING A COORDINATION CATALYST CONTAINING CHROMIUM | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-01-05 | — | — | US | disclosed |
| EP-0080339-A2 | Colored monomer composition, method of polymerizing the composition, and polymerizate formed thereby | PPG INDUSTRIES, INC. (US) | 1983-06-01 | — | — | EP | disclosed |