⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28045483 | 0.78 | ZDHHC20 (0.30) | — | |
| SCHEMBL3763912 | 0.78 | ZDHHC20 (0.30) | — | |
| SCHEMBL28045615 | 0.78 | ZDHHC20 (0.30) | — | |
| SCHEMBL28793599 | 0.75 | — | — | |
| SCHEMBL27702721 | 0.75 | — | — | |
| SCHEMBL27500634 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL27723127 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9287666 | 0.73 | — | — | |
| SCHEMBL27723136 | 0.70 | KMT2A (0.36) | — | |
| SCHEMBL5704892 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1254185-A1 | COMB POLYMERS FROM ATRP MACROMONOMERS | Ciba SC Holding AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001051534-A1 | COMB POLYMERS FROM ATRP MACROMONOMERS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2001-07-19 | — | — | WO | disclosed |