⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7857247 | 0.72 | — | — | |
| SCHEMBL16385694 | 0.65 | — | — | |
| SCHEMBL21585412 | 0.63 | — | — | |
| SCHEMBL10886563 | 0.63 | — | — | |
| SCHEMBL15520286 | 0.61 | — | — | |
| SCHEMBL24477690 | 0.60 | — | — | |
| SCHEMBL12796460 | 0.59 | — | — | |
| SCHEMBL24436678 | 0.58 | — | — | |
| SCHEMBL22197976 | 0.58 | — | — | |
| SCHEMBL13466794 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998024752-A1 | PROCESS FOR PREPARING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL ISOBUTYRATE | NESTE OY (FI) | 1998-06-11 | — | — | WO | disclosed |