⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18285745 | 0.88 | EPHX1 (0.41) | — | |
| SCHEMBL1134206 | 0.82 | — | — | |
| SCHEMBL22229837 | 0.75 | SHBG (0.34) | — | |
| SCHEMBL6860576 | 0.73 | EPHX1 (0.37) | — | |
| SCHEMBL17651116 | 0.72 | EPHX1 (0.40) | — | |
| SCHEMBL9408341 | 0.69 | — | — | |
| SCHEMBL9408330 | 0.69 | — | — | |
| SCHEMBL29028827 | 0.66 | EPHX1 (0.39) | — | |
| SCHEMBL30436282 | 0.65 | ALDH1A1 (0.52) | — | |
| SCHEMBL8764246 | 0.63 | UGT2B7 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-8245483-A | — | — | None | — | — | JP | disclosed |
| CN-108002968-B | Method for preparing carboxylic acid compounds by oxidizing and breaking carbon-carbon bonds of ketone compounds | 中国科学院大连化学物理研究所 | 2020-09-22 | — | — | CN | disclosed |
| EP-0820977-A1 | Process for the preparation of cyclopropylalkylketones and 4,5-dihydroalkylfurans | HÜLS AKTIENGESELLSCHAFT (DE) | 1998-01-28 | — | — | EP | disclosed |
| JP-H08245483-A | SIMULTANEOUS PRODUCTION OF CYCLOPROPYLALKYL KETONE AND ALKYUL-4,5-DIHYDRO-2-ALKYLFURAN | HUELS AG | 1996-09-24 | — | — | JP | disclosed |
| US-5081301-A | HYDROXYLAMINE DERIVATIVES WHICH ARE INTERMEDIATES FOR MAKING HERBICIDAL COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1992-01-14 | — | — | US | disclosed |