⚠ 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL27627725 | 0.97 | TTR (0.33) | — | |
| SCHEMBL94015 | 0.87 | — | — | |
| Phosphine SCHEMBL27912492 | 0.84 | — | — | |
| Water SCHEMBL27487506 | 0.84 | — | — | |
| Oxirane SCHEMBL6361743 | 0.78 | — | — | |
| Oxirane SCHEMBL6358644 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL13513587 | 0.75 | — | — | |
| SCHEMBL28529518 | 0.74 | — | — | |
| SCHEMBL27730779 | 0.72 | — | — | |
| SCHEMBL19809166 | 0.71 | — | — |
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-0783543-B1 | MOLDABLE THERMOPLASTIC POLYMER FOAM BEADS | KNAUS DENNIS A (US) | 2005-11-30 | — | — | EP | disclosed |
| US-5763498-A | COMPRISING CROSSLINKED OR NONCROSSLINKED POLYMERS ANDBLOWING AGENT | KNAUS DENNIS A (US) | 1998-06-09 | — | — | US | disclosed |