⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9516681 | 0.87 | — | — | |
| SCHEMBL784060 | 0.87 | — | — | |
| SCHEMBL28222294 | 0.87 | — | — | |
| SCHEMBL5407167 | 0.75 | — | — | |
| SCHEMBL5447890 | 0.75 | — | — | |
| SCHEMBL14891947 | 0.75 | — | — | |
| SCHEMBL2297209 | 0.75 | — | — | |
| SCHEMBL16700834 | 0.75 | — | — | |
| SCHEMBL16243879 | 0.75 | — | — | |
| SCHEMBL6704082 | 0.75 | — | — |
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-1792650-A1 | Process for the preparation of a paraffin isomerisation catalyst | Haldor Topsoe A/S (DK) | 2007-06-06 | — | — | EP | disclosed |
| US-20070119748-A1 | Process for the preparation of a paraffin isomerization catalyst | HALDOR TOPSOE A/S (DK) | 2007-05-31 | — | — | US | disclosed |