Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Fluoride. 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL2460917 | 0.89 | — | — | |
| Fluoride SCHEMBL2686236 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL333795 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL411798 | 0.78 | — | — | |
| Fluoride SCHEMBL21834667 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9496122 | 0.78 | — | — | |
| Ethylene SCHEMBL7243722 | 0.73 | — | — | |
| Fluoride SCHEMBL15011271 | 0.67 | — | — | |
| Fluoride SCHEMBL10602112 | 0.67 | — | — | |
| Fluoride SCHEMBL184930 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016098016-A1 | PROCESS FOR THE PREPARATION OF SGLT2 INHIBITORS | DR. REDDY’S LABORATORIES LIMITED (IN) | 2016-06-23 | — | — | WO | disclosed |