⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5081940 | 1.00 | — | — | |
| SCHEMBL6061168 | 0.82 | — | — | |
| SCHEMBL31129153 | 0.78 | — | — | |
| SCHEMBL30932558 | 0.75 | HSD17B10 (0.33) | — | |
| SCHEMBL7723836 | 0.73 | — | — | |
| SCHEMBL19508519 | 0.73 | — | — | |
| SCHEMBL11061054 | 0.71 | — | — | |
| SCHEMBL22164511 | 0.71 | — | — | |
| SCHEMBL22164507 | 0.71 | — | — | |
| SCHEMBL11061050 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414155-B2 | Process for the hydroformylation of an ethylenically unsaturated compound | SHELL OIL COMPANY (US) | 2008-08-19 | — | — | US | disclosed |
| US-20070238892-A1 | PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND | DRENT EIT | 2007-10-11 | — | — | US | disclosed |
| US-7250538-B2 | Process for the hydroformylation of an ethylenically unsaturated compound | SHELL OIL COMPANY (US) | 2007-07-31 | — | — | US | disclosed |
| US-20040167362-A1 | Process for the hydroformylation of an ethylenically unsaturated compound | SHELL OIL COMPANY | 2004-08-26 | — | — | US | disclosed |