Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. 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 | |
|---|---|---|---|---|
| SCHEMBL8679019 | 0.87 | — | — | |
| SCHEMBL8344401 | 0.73 | ACLY (0.38) | — | |
| SCHEMBL8614471 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL9937642 | 0.71 | — | — | |
| Bicarbonate SCHEMBL28210029 | 0.70 | FFAR3 (0.41) | — | |
| Bicarbonate SCHEMBL28920720 | 0.70 | FFAR3 (0.41) | — | |
| SCHEMBL6322207 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL4762009 | 0.67 | — | — | |
| SCHEMBL1706953 | 0.67 | — | — | |
| SCHEMBL3202946 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506150-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED TRIFLUOROETHYLENES | Bayer CropScience Aktiengesellschaft (DE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003095401-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED TRIFLUOROETHYLENES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2003-11-20 | — | — | WO | disclosed |
| WO-1998024744-A1 | POLYHALOGEN HEXENES PRODUCTION THEREOF AND PRODUCTION OF HALOGENATED C4 CARBOXYLIC ACIDS FROM THESE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-11 | — | — | WO | disclosed |