⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11122144 | 0.85 | SLC22A6 (0.30) | — | |
| SCHEMBL5355938 | 0.82 | — | — | |
| SCHEMBL14054337 | 0.76 | — | — | |
| SCHEMBL182307 | 0.76 | — | — | |
| SCHEMBL11784401 | 0.74 | — | — | |
| SCHEMBL18801160 | 0.74 | — | — | |
| SCHEMBL1135913 | 0.74 | — | — | |
| SCHEMBL13168687 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL9445758 | 0.72 | CES2 (0.48) | — | |
| SCHEMBL182420 | 0.72 | CES2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100003732-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE | KANEKA CORPORATION (JP) | 2010-01-07 | — | — | US | disclosed |
| EP-1887085-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE | Kaneka Corporation (JP) | 2008-02-13 | — | — | EP | disclosed |