⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9762421 | 0.78 | — | — | |
| SCHEMBL9913337 | 0.74 | — | — | |
| SCHEMBL502840 | 0.72 | — | — | |
| SCHEMBL11866871 | 0.72 | — | — | |
| SCHEMBL9762426 | 0.71 | — | — | |
| SCHEMBL15005558 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL11222116 | 0.70 | — | — | |
| SCHEMBL363478 | 0.69 | — | — | |
| SCHEMBL11439991 | 0.69 | — | — | |
| SCHEMBL21404631 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0240818-B1 | FLUORINATED TERTIARY BUTYL AMINES | BAYER AG (DE) | 1991-12-04 | — | — | EP | disclosed |
| US-5019654-A | Fluorinated tertiary butylamines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-05-28 | — | — | US | disclosed |
| US-4721523-A | Herbicidal agents containing photosynthesis-inhibiting herbicides in combination with carbamate derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1988-01-26 | — | — | US | disclosed |
| EP-0240818-A1 | Fluorinated tertiary butyl amines | BAYER AG (DE) | 1987-10-14 | — | — | EP | disclosed |
| US-4609648-A | SYNERGISTS FOR ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-02 | — | — | US | disclosed |
| EP-0132733-B1 | FLUOROPIVALIC-ACID FLUORIDES AND PROCESS FOR PRODUCING THEM | BAYER AG (DE) | 1986-06-11 | — | — | EP | disclosed |
| US-4549994-A | INTERMEDIATES FOR MAKING CARBAMATE INSECTICIDE SYNERGISTS | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-29 | — | — | US | disclosed |
| EP-0132729-A2 | Halogenoalkylcarbamic-acid esters, their preparation and their use as pesticides | BAYER AG (DE) | 1985-02-13 | — | — | EP | disclosed |
| EP-0132733-A2 | Fluoropivalic-acid fluorides and process for producing them | BAYER AG (DE) | 1985-02-13 | — | — | EP | disclosed |