⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL921947 | 0.83 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL27888651 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL7980709 | 0.77 | FDPS (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28224208 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL13864553 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL14587074 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL3077071 | 0.72 | — | — | |
| SCHEMBL305432 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL31634766 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL1071425 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012095861-A1 | METHOD FOR PREPARING RECYCLED POLYETHYLENE TEREPHTHALATE | RELIANCE INDUSTRIES LIMITED (IN) | 2012-07-19 | — | — | WO | disclosed |
| EP-1989245-B1 | POLYESTER SOLID PHASE POLYMERIZATION CATALYST FOR LOW ACETALDEHYDE GENERATING RESINS | M & G POLIMERI ITALIA SPA (IT) | 2011-03-09 | — | — | EP | disclosed |
| US-20070191582-A1 | POLYESTER SOLID PHASE POLYMERIZATION CATALYST FOR LOW ACETALDEHYDE GENERATING RESINS | Corpus Christi Polymers LLC | 2007-08-16 | — | — | US | disclosed |
| EP-0419254-A2 | Polyester compositions and organotin esterification catalysts therefor | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| US-4970288-A | FOOD, BEVERAGE AND DRUG PACKAGING | ATOCHEM NORTH AMERICA, INC. (US) | 1990-11-13 | — | — | US | disclosed |