⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5598862 | 0.81 | HSPA5 (0.38) | — | |
| SCHEMBL12629150 | 0.79 | DPP4 (0.34) | — | |
| SCHEMBL21296567 | 0.79 | HSPA5 (0.46) | — | |
| SCHEMBL22810499 | 0.77 | — | — | |
| SCHEMBL8003750 | 0.74 | — | — | |
| SCHEMBL939264 | 0.74 | — | — | |
| SCHEMBL8597025 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL28853138 | 0.74 | PNMT (0.50) | — | |
| SCHEMBL8005032 | 0.74 | — | — | |
| SCHEMBL8013197 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7265242-B2 | Process for the carbonylation of ethylenically or acetylenically unsaturated compounds | SHELL OIL COMPANY (US) | 2007-09-04 | — | — | US | disclosed |
| EP-1735263-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY OR ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2006-12-27 | — | — | EP | disclosed |
| US-20060235241-A1 | Process for the carbonylation of a conuugated diene | SHELL OIL COMPANY | 2006-10-19 | — | — | US | disclosed |
| WO-2005082830-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY OR ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2005-09-09 | — | — | WO | disclosed |
| US-20050192457-A1 | Process for the carbonylation of ethylenically or acetylenically unsaturated compounds | SHELL OIL COMPANY | 2005-09-01 | — | — | US | disclosed |