⚠ 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 | |
|---|---|---|---|---|
| Trifluoroethanol SCHEMBL28192499 | 1.00 | MEN1 (0.36) | — | |
| Trifluoroethanol SCHEMBL4869 | 1.00 | — | — | |
| Trifluoroethanol SCHEMBL28211643 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL7993974 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL28048887 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL3396004 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL26597345 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL319180 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL28100273 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL28239185 | 0.95 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5514816-A | REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES | CIBA-GEIGY CORPORATION (US) | 1996-05-07 | — | — | US | disclosed |
| US-5496848-A | Process for the preparation of substituted difluorobenzo-1,3-dioxoles | CIBA-GEIGY CORPORATION (US) | 1996-03-05 | — | — | US | disclosed |
| US-5493032-A | INSECTICIDES, MICROBIOCIDES | CIBA-GEIGY CORPORATION (US) | 1996-02-20 | — | — | US | disclosed |
| EP-0333658-B1 | Process for the preparation of substituted difluorbenzo-1,3-dioxoles | CIBA GEIGY AG (CH) | 1995-07-26 | — | — | EP | disclosed |
| US-5420301-A | Process for the preparation of substituted difluorobenzo-1,3-dioxoles | CIBA-GEIGY CORPORATION (US) | 1995-05-30 | — | — | US | disclosed |
| US-5281718-A | Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide | CIBA-GEIGY CORPORATION (US) | 1994-01-25 | — | — | US | disclosed |
| US-5194628-A | Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide | CIBA-GEIGY CORPORATION (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0333658-A2 | Process for the preparation of substituted difluorbenzo-1,3-dioxoles | CIBA-GEIGY AG (CH) | 1989-09-20 | — | — | EP | disclosed |