Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Fluoroacetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Fluoroacetate SCHEMBL30106705 | 0.96 | — | — | |
| Fluoroacetate SCHEMBL226060 | 0.96 | — | — | |
| Fluoroacetate SCHEMBL27420325 | 0.92 | — | — | |
| Fluoroacetate SCHEMBL32663020 | 0.92 | CASP1 (0.92) | — | |
| Fluoroacetate SCHEMBL4908176 | 0.88 | CASP1 (0.85) | — | |
| Fluoroacetate SCHEMBL6914898 | 0.88 | — | — | |
| Fluoroacetate SCHEMBL6916369 | 0.88 | CASP1 (0.85) | — | |
| Fluoroacetate SCHEMBL9958696 | 0.88 | — | — | |
| Fluoroacetate SCHEMBL6915710 | 0.88 | CASP1 (0.85) | — | |
| Fluoroacetate SCHEMBL4908160 | 0.88 | CASP1 (0.85) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0318425-B1 | DERIVATIVES OF 2,2-DIFLUORCYCLOPROPYL ETHANE, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PEST CONTROL | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-03-18 | — | — | EP | disclosed |
| EP-0452444-A1 | PHENYLCYCLOHEXANES AND LIQUID CRYSTALLINE MEDIA | MERCK PATENT GmbH (DE) | 1991-10-23 | — | — | EP | disclosed |
| WO-1991006522-A2 | PHENYLCYCLOHEXANES AND LIQUID CRYSTALLINE MEDIA | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-05-16 | — | — | WO | disclosed |
| EP-0318425-A1 | Derivatives of 2,2-difluorcyclopropyl ethane, process for their preparation and their use in pest control | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-05-31 | — | — | EP | disclosed |
| EP-0190611-A2 | Acyl ureas, insecticidal compositions containing them and process for their preparation | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-08-13 | — | — | EP | disclosed |