⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25509662 | 0.85 | HSD11B1 (0.32) | — | |
| SCHEMBL26014443 | 0.84 | — | — | |
| SCHEMBL23815295 | 0.84 | — | — | |
| SCHEMBL23558943 | 0.81 | — | — | |
| SCHEMBL8942159 | 0.80 | — | — | |
| SCHEMBL26939279 | 0.79 | HSD11B1 (0.34) | — | |
| SCHEMBL825347 | 0.77 | — | — | |
| SCHEMBL21524625 | 0.77 | — | — | |
| SCHEMBL26939693 | 0.77 | — | — | |
| SCHEMBL26939497 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5510516-A | CATALYTIC OXIDATION OF ACRYLIC ESTERS, AMIDES OR THIOESTERS WITH HYDROGEN PEROXIDE | ATOCHEM (FR) | 1996-04-23 | — | — | US | disclosed |
| US-5481012-A | REACTION OF HYDROGEN PEROXIDE WITH DOUBLE BOND | ATOCHEM (FR) | 1996-01-02 | — | — | US | disclosed |
| US-5283360-A | Opening epoxide ring with acidic reagent | ATOCHEM (FR) | 1994-02-01 | — | — | US | disclosed |