⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44379 | 0.83 | — | — | |
| Propylene Oxide SCHEMBL1717596 | 0.71 | CHRM2 (0.33) | — | |
| Propylene Oxide SCHEMBL1717411 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL9809615 | 0.67 | EPHX1 (0.40) | — | |
| SCHEMBL44598 | 0.66 | — | — | |
| SCHEMBL31399377 | 0.65 | — | — | |
| Propylene Oxide SCHEMBL2498638 | 0.65 | PDK1 (0.31) | — | |
| SCHEMBL8580576 | 0.65 | EPHX1 (0.56) | — | |
| SCHEMBL13897222 | 0.64 | EPHX1 (0.32) | — | |
| SCHEMBL30694 | 0.64 | MEN1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2591039-A1 | BRANCHED POLYESTER | Perstorp AB (SE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012005647-A1 | BRANCHED POLYESTER | PERSTORP AB (SE) | 2012-01-12 | — | — | WO | disclosed |