⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7755214 | 1.00 | — | — | |
| SCHEMBL7758393 | 0.98 | ADH1B (0.32) | — | |
| SCHEMBL7759082 | 0.98 | ADH1B (0.32) | — | |
| SCHEMBL7755188 | 0.98 | ADH1B (0.32) | — | |
| SCHEMBL7759079 | 0.98 | ADH1B (0.32) | — | |
| SCHEMBL7758392 | 0.98 | ADH1B (0.32) | — | |
| SCHEMBL7755184 | 0.98 | ADH1B (0.32) | — | |
| SCHEMBL28216071 | 0.81 | ADH1B (0.37) | — | |
| SCHEMBL29860701 | 0.78 | ADH1B (0.36) | — | |
| SCHEMBL9112820 | 0.78 | HRH3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001066611-A1 | METHOD FOR CARRYING OUT THE RARE EARTH METAL-CATALYZED SYNTHESIS OF POLYACRYLATES HAVING A HIGH ISOTACTICITY | Röhm GmbH & Co. KG (DE) | 2001-09-13 | — | — | WO | disclosed |