⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10704789 | 0.81 | — | — | |
| SCHEMBL193665 | 0.75 | AKR1B1 (0.34) | — | |
| SCHEMBL6122515 | 0.75 | AKR1B1 (0.34) | — | |
| SCHEMBL3029047 | 0.75 | AKR1B1 (0.34) | — | |
| Acrylic Acid SCHEMBL10709546 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL21950887 | 0.69 | AKR1B1 (0.33) | — | |
| SCHEMBL27948432 | 0.69 | SIRT2 (0.33) | — | |
| SCHEMBL21950926 | 0.69 | AKR1B1 (0.33) | — | |
| SCHEMBL5649867 | 0.69 | AKR1B1 (0.33) | — | |
| SCHEMBL13735212 | 0.69 | CETP (0.35) | — |
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-0040889-B1 | ACTIVATORS FOR ZIEGLER TYPE POLYMERIZATION CATALYSTS | UNIROYAL, INC. (US) | 1984-05-30 | — | — | EP | disclosed |
| US-4347159-A | CHLORINATED ESTER OF (TETRAHYDRO)FUROIC ACID | UNIROYAL, INC. (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0040889-A1 | Activators for Ziegler type polymerization catalysts | UNIROYAL, INC. (US) | 1981-12-02 | — | — | EP | disclosed |