⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11856009 | 0.88 | GSK3B (0.30) | — | |
| SCHEMBL3686668 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL11693258 | 0.81 | CYP3A4 (0.44) | — | |
| SCHEMBL3419031 | 0.68 | TDP1 (0.50) | — | |
| SCHEMBL11852253 | 0.68 | CYP3A4 (0.49) | — | |
| SCHEMBL17897871 | 0.67 | TDP1 (0.48) | — | |
| SCHEMBL2979667 | 0.67 | USP2 (0.52) | — | |
| SCHEMBL13966880 | 0.67 | USP2 (0.52) | — | |
| SCHEMBL13966877 | 0.67 | USP2 (0.52) | — | |
| SCHEMBL16338301 | 0.67 | USP2 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4058607-A | DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES | AIRWICK INDUSTRIES, INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-3962415-A | Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer | AIRWICK INDUSTRIES, INC. (US) | 1976-06-08 | — | — | US | disclosed |