⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2234745 | 0.81 | — | — | |
| SCHEMBL29775029 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2235424 | 0.79 | — | — | |
| SCHEMBL18763199 | 0.77 | — | — | |
| SCHEMBL18763198 | 0.75 | — | — | |
| SCHEMBL4089364 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2114222 | 0.72 | — | — | |
| SCHEMBL6917865 | 0.71 | GPR3 (0.34) | — | |
| SCHEMBL5189578 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL31046606 | 0.70 | — | — |
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-2760958-B1 | SYSTEMS, METHODS AND COMPOSITIONS FOR PRODUCTION OF TIE-LAYER ADHESIVES | EQUISTAR CHEM LP (US) | 2020-08-12 | — | — | EP | disclosed |
| EP-2760958-A1 | SYSTEMS, METHODS AND COMPOSITIONS FOR PRODUCTION OF TIE-LAYER ADHESIVES | Equistar Chemicals, LP (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013049786-A1 | SYSTEMS, METHODS AND COMPOSITIONS FOR PRODUCTION OF TIE-LAYER ADHESIVES | EQUISTAR CHEMICALS, LP (US) | 2013-04-04 | — | — | WO | disclosed |