⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28292487 | 0.84 | DNM1 (0.35) | — | |
| SCHEMBL7856017 | 0.80 | MAPT (0.42) | — | |
| SCHEMBL9946309 | 0.77 | — | — | |
| SCHEMBL13010817 | 0.77 | — | — | |
| SCHEMBL1470817 | 0.77 | — | — | |
| SCHEMBL10395462 | 0.75 | — | — | |
| SCHEMBL23351119 | 0.74 | — | — | |
| SCHEMBL28070484 | 0.74 | — | — | |
| SCHEMBL23825163 | 0.72 | — | — | |
| SCHEMBL834856 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120145955-A1 | COMPOSITION OF HCFO-1233zd AND POLYOL BLENDS FOR USE IN POLYURETHANE FOAM | ARKEMA INC. (US) | 2012-06-14 | — | — | US | claimed |
| EP-2459610-A1 | COMPOSITION OF HCFO-1233zd AND POLYOL BLENDS FOR USE IN POLYURETHANE FOAM | Arkema, Inc. (US) | 2012-06-06 | — | — | EP | claimed |
| WO-2011014441-A1 | COMPOSITION OF HCFO-1233zd AND POLYOL BLENDS FOR USE IN POLYURETHANE FOAM | ARKEMA INC. (US) | 2011-02-03 | — | — | WO | claimed |