⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1467145 | 1.00 | — | — | |
| SCHEMBL6706163 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL2029683 | 0.82 | PRKCD (0.32) | — | |
| SCHEMBL6120990 | 0.81 | EPHX1 (0.34) | — | |
| SCHEMBL4912286 | 0.81 | EPHX1 (0.34) | — | |
| SCHEMBL179683 | 0.81 | — | — | |
| SCHEMBL6428669 | 0.81 | — | — | |
| SCHEMBL7264368 | 0.78 | — | — | |
| SCHEMBL888651 | 0.78 | — | — | |
| SCHEMBL7263919 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000002836-A1 | METHOD FOR PREPARING 2-DISUBSTITUTED 2,3-DIHYDROBENZOFURAN DERIVATIVES | PIERRE FABRE MEDICAMENT (FR) | 2000-01-20 | — | — | WO | disclosed |
| US-5498734-A | Preparation and use of (2-butene-1,4-diyl)magnesium complexes in organic synthesis | UNIVERSITY OF NEBRASKA (US) | 1996-03-12 | — | — | US | disclosed |
| US-5384078-A | Reaction of dienes with epoxides and carbon dioxide to form lactones for reaction with calcium | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 1995-01-24 | — | — | US | disclosed |