⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3271549 | 0.81 | — | — | |
| SCHEMBL2308676 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL25419047 | 0.67 | ABCB1 (0.31) | — | |
| SCHEMBL461156 | 0.63 | GABRA1 (0.40) | — | |
| SCHEMBL11811124 | 0.63 | NCEH1 (0.33) | — | |
| SCHEMBL5589113 | 0.60 | LDHA (0.37) | — | |
| SCHEMBL12096287 | 0.60 | GABRA1 (0.36) | — | |
| SCHEMBL7098620 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL5589697 | 0.57 | AKR1B1 (0.41) | — | |
| SCHEMBL1760594 | 0.56 | GABRA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0084417-B1 | PRODUCTION OF AROMATIC CARBONYL COMPOUNDS INCLUDING NOVEL ACETOPHENONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-05-07 | — | — | EP | disclosed |
| US-4486605-A | DECOMPOSITION OF HYDROPEROXIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-12-04 | — | — | US | disclosed |
| US-4448234-A | COATING OF PEROXIDE, ACID, CONDENSATION POLYMER OR PREPOLYMER; GASSING WITH SULFUR DIOXIDE TO CURE | CL INDUSTRIES, INC. (US) | 1984-05-15 | — | — | US | disclosed |
| US-4204075-A | PURIFICATION | PENNWALT CORPORATION (US) | 1980-05-20 | — | — | US | disclosed |
| US-4133835-A | REACTING AN OLEFIN, A HALIDE, AND A HYDROPEROXIDE | PENNWALT CORPORATION (US) | 1979-01-09 | — | — | US | disclosed |