⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28874012 | 0.82 | — | — | |
| SCHEMBL30233747 | 0.78 | EPHX2 (0.44) | — | |
| SCHEMBL14308138 | 0.78 | EPHX2 (0.44) | — | |
| SCHEMBL186293 | 0.78 | CYP2C19 (0.41) | — | |
| SCHEMBL18106086 | 0.75 | — | — | |
| SCHEMBL4095064 | 0.73 | — | — | |
| SCHEMBL7972544 | 0.73 | — | — | |
| SCHEMBL15623088 | 0.73 | — | — | |
| SCHEMBL7991859 | 0.73 | — | — | |
| Lithium Ion SCHEMBL18091445 | 0.73 | — | — |
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-103288581-A | Batch extractive distillation separation method of benzene-propyl alcohol azeotropic mixture | UNIV JINAN | 2013-09-11 | — | — | CN | disclosed |
| CN-1196738-A | Polyester amide complymer and process for production thereof, polyester amide monomer and process for production thereof and polyester amide resin composition | TORAY INDUSTRIES (JP) | 1998-10-21 | — | — | CN | disclosed |