⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28584959 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL16548120 | 0.80 | MEN1 (0.46) | — | |
| SCHEMBL28396629 | 0.77 | — | — | |
| SCHEMBL16548122 | 0.77 | CYP4F2 (0.34) | — | |
| SCHEMBL16544486 | 0.74 | — | — | |
| SCHEMBL14491976 | 0.72 | — | — | |
| SCHEMBL8837037 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL16548121 | 0.72 | DRD3 (0.30) | — | |
| SCHEMBL22228986 | 0.70 | — | — | |
| SCHEMBL28306447 | 0.70 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2935038-A1 | BARRIER FILMS OF FDCA-BASED POLYESTERS | Dow Global Technologies LLC (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014100254-A1 | BARRIER FILMS OF FDCA-BASED POLYESTERS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-06-26 | — | — | WO | disclosed |
| US-20070142511-A1 | Polyester compositions which comprise cyclobutanediol ethylene glycol, titanium, and phosphorus with improved color and manufacturing processes therefor | EASTMAN CHEMICAL COMPANY | 2007-06-21 | — | — | US | disclosed |