⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7527260 | 0.69 | — | — | |
| SCHEMBL3620691 | 0.69 | — | — | |
| SCHEMBL9787221 | 0.69 | — | — | |
| SCHEMBL2861418 | 0.62 | — | — | |
| SCHEMBL8079138 | 0.61 | — | — | |
| SCHEMBL1786555 | 0.61 | — | — | |
| SCHEMBL8722211 | 0.58 | — | — | |
| SCHEMBL649144 | 0.58 | — | — | |
| SCHEMBL2488009 | 0.58 | — | — | |
| Bromide SCHEMBL18992024 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007502315-A | — | — | 2007-02-08 | — | — | JP | claimed |
| US-20060235241-A1 | Process for the carbonylation of a conuugated diene | SHELL OIL COMPANY | 2006-10-19 | — | — | US | claimed |
| EP-1625109-A1 | PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2006-02-15 | — | — | EP | claimed |
| WO-2004103948-A1 | PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-12-02 | — | — | WO | claimed |