⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL978975 | 0.69 | — | — | |
| SCHEMBL29807506 | 0.69 | — | — | |
| SCHEMBL9298211 | 0.67 | — | — | |
| SCHEMBL9296623 | 0.62 | — | — | |
| SCHEMBL31327424 | 0.50 | — | — | |
| SCHEMBL28601002 | 0.49 | — | — | |
| SCHEMBL10704030 | 0.46 | — | — | |
| Benzoquinone SCHEMBL28074086 | 0.40 | ALDH1A1 (0.61) | — | |
| SCHEMBL18010969 | 0.39 | — | — | |
| SCHEMBL11370176 | 0.39 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1304924-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | Bayer Aktiengesellschaft (DE) | 2003-05-02 | — | — | EP | disclosed |
| US-20020094993-A1 | Compositions for repelling crawling insects | S.C. JOHNSON & SON, INC. | 2002-07-18 | — | — | US | disclosed |
| WO-2002005646-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | S.C. JOHNSON & SON, INC. (US) (US) | 2002-01-24 | — | — | WO | disclosed |