⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1313014 | 0.73 | — | — | |
| SCHEMBL36353 | 0.65 | KDM4E (0.44) | — | |
| Oxirane SCHEMBL5379132 | 0.63 | — | — | |
| SCHEMBL17151043 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL17739971 | 0.61 | — | — | |
| SCHEMBL16301560 | 0.61 | — | — | |
| SCHEMBL16274502 | 0.61 | — | — | |
| SCHEMBL3376140 | 0.61 | — | — | |
| SCHEMBL17612642 | 0.61 | — | — | |
| SCHEMBL28143526 | 0.61 | — | — |
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-5034499-A | Polymerization of trioxane with 5,6-epoxy-1,3-dioxepane for toughness and heat resistance | HOECHST CELANESE CORP. (US) | 1991-07-23 | — | — | US | disclosed |
| EP-0337756-A2 | Acetal copolymers with backbone amine groups | HOECHST CELANESE CORPORATION (US) | 1989-10-18 | — | — | EP | disclosed |