⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7595679 | 0.69 | — | — | |
| SCHEMBL11604277 | 0.62 | TP53 (0.31) | — | |
| SCHEMBL1006426 | 0.61 | — | — | |
| SCHEMBL8464613 | 0.61 | — | — | |
| SCHEMBL272680 | 0.61 | TP53 (0.31) | — | |
| SCHEMBL9805813 | 0.61 | — | — | |
| SCHEMBL1705309 | 0.61 | — | — | |
| SCHEMBL11571247 | 0.60 | — | — | |
| SCHEMBL17195988 | 0.60 | TP53 (0.30) | — | |
| SCHEMBL8621223 | 0.60 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2207833-A1 | POLYURETHANE FOAMS FROM POLYTRIMETHYLENE ETHER GLYCOL | E. I. du Pont de Nemours and Company (US) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009061992-A1 | POLYURETHANE FOAMS FROM POLYTRIMETHYLENE ETHER GLYCOL | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-05-14 | — | — | WO | disclosed |
| EP-2046851-A1 | POLYTRIMETHYLENE ETHER-BASED POLYURETHANE IONOMERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008013924-A1 | POLYTRIMETHYLENE ETHER-BASED POLYURETHANE IONOMERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |