⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL547851 | 1.00 | — | — | |
| SCHEMBL10433002 | 1.00 | — | — | |
| SCHEMBL11352229 | 1.00 | — | — | |
| SCHEMBL11324609 | 1.00 | — | — | |
| SCHEMBL487409 | 1.00 | — | — | |
| SCHEMBL29039997 | 1.00 | — | — | |
| SCHEMBL9319044 | 1.00 | — | — | |
| SCHEMBL592003 | 0.96 | — | — | |
| SCHEMBL13788205 | 0.89 | — | — | |
| SCHEMBL2859317 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8329795-B2 | Oil based polyols or diacids esterified with oxo-acids or oxo-alcohols for producing plasticizers | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2012-12-11 | — | — | US | disclosed |
| US-20110009548-A1 | OIL BASED POLYOLS OR DIACIDS ESTERIFIED WITH OXO-ACIDS OR OXO-ALCOHOLS FOR PRODUCING PLASTICIZERS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-01-13 | — | — | US | disclosed |
| WO-2011005822-A1 | OIL BASED POLYOLS OR DIACIDS ESTERIFIED WITH OXO-ACIDS OR OXO-ALCOHOLS FOR PRODUCING PLASTICIZERS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |