⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5173397 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL28674433 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL9630699 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL27160388 | 0.77 | TDP1 (0.40) | — | |
| SCHEMBL11569123 | 0.76 | — | — | |
| SCHEMBL1834842 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL7863984 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL1836223 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL29313801 | 0.73 | — | — | |
| SCHEMBL25727258 | 0.72 | EPHX1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1772445-B1 | Octene composition | EXXONMOBIL CHEM PATENTS INC (US) | 2011-09-28 | — | — | EP | disclosed |