⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8583614 | 0.88 | — | — | |
| SCHEMBL23733013 | 0.71 | — | — | |
| SCHEMBL19138789 | 0.71 | POLB (0.32) | — | |
| SCHEMBL27596866 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL27598263 | 0.69 | — | — | |
| SCHEMBL25992987 | 0.67 | POLB (0.35) | — | |
| SCHEMBL27960199 | 0.65 | — | — | |
| SCHEMBL22199743 | 0.65 | — | — | |
| Water SCHEMBL30480124 | 0.65 | POLB (0.33) | — | |
| SCHEMBL21110614 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10858318-B2 | Born-based cycloaddition catalysts and methods for the production of bio-based terephthalic acid, isophthalic acid and poly (ethylene terephthalate) | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2020-12-08 | — | — | US | disclosed |
| EP-1427763-A1 | METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS | Röhm GmbH & Co. KG (DE) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003048176-A1 | CATALYST FOR PRODUCING (CO)POLYMERS OF (METH)ACRYLIC COMPOUNDS | Röhm GmbH & Co. KG (DE) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003029310-A1 | METHOD AND DEVICE FOR PRODUCING A HIGHLY MOLECULAR POLY(METH)ACRYLATE | RÖHM GBMH & CO.KG (DE) | 2003-04-10 | — | — | WO | disclosed |
| WO-2003022897-A1 | METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS | Röhm GmbH & Co. KG (DE) | 2003-03-20 | — | — | WO | disclosed |