⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682157 | 0.90 | — | — | |
| SCHEMBL239707 | 0.67 | — | — | |
| SCHEMBL8515490 | 0.67 | CHRM2 (0.46) | — | |
| SCHEMBL12700286 | 0.67 | CHRM2 (0.46) | — | |
| SCHEMBL15095887 | 0.67 | CHRM2 (0.46) | — | |
| SCHEMBL15129661 | 0.64 | — | — | |
| SCHEMBL22788167 | 0.64 | — | — | |
| SCHEMBL4166818 | 0.64 | — | — | |
| SCHEMBL8618062 | 0.63 | L3MBTL1 (0.31) | — | |
| SCHEMBL24752922 | 0.62 | CHRM2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104507896-A | Production of alpha, omega-diols | DU PONT | 2015-04-08 | — | — | CN | disclosed |
| CN-104136424-A | PRODUCTION OF TETRAHYDROFURAN-2, 5-DIMETHANOL FROM ISOSORBIDE | DU PONT | 2014-11-05 | — | — | CN | disclosed |