⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30360213 | 1.00 | — | — | |
| SCHEMBL6238960 | 0.98 | CYP4F2 (0.31) | — | |
| SCHEMBL31501152 | 0.98 | — | — | |
| SCHEMBL5396149 | 0.98 | — | — | |
| SCHEMBL7158190 | 0.91 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL27940189 | 0.88 | LMNA (0.31) | — | |
| SCHEMBL27979077 | 0.88 | LMNA (0.31) | — | |
| SCHEMBL28060103 | 0.88 | — | — | |
| SCHEMBL14732305 | 0.88 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL27785024 | 0.85 | SMN1; SMN2 (0.33) | — |
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-2004096866-A2 | PROCESSES FOR RECOVERING OLIGOMERS OF GLYCOLS AND POLYMERIZATION CATALYST FROM WASTE STREAMS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-11-11 | — | — | WO | disclosed |