Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Acetone. 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27580011 | 0.88 | — | — | |
| Acetone SCHEMBL28397327 | 0.88 | — | — | |
| Acetone SCHEMBL28917569 | 0.88 | — | — | |
| Acetone SCHEMBL8977992 | 0.88 | — | — | |
| Acetone SCHEMBL7644305 | 0.88 | — | — | |
| Acetone SCHEMBL28846007 | 0.88 | — | — | |
| Acetone SCHEMBL11069607 | 0.88 | — | — | |
| Acetone SCHEMBL9772143 | 0.88 | — | — | |
| Acetone SCHEMBL3134673 | 0.88 | — | — | |
| Acetone SCHEMBL28275231 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006047765-A1 | METHANOL RESISTANT CATHODIC CATALYST FOR DIRECT METHANOL FUEL CELLS | PACIFIC FUEL CELL CORP. (US) | 2006-05-04 | — | — | WO | disclosed |
| US-20060088741-A1 | Methanol resistant cathodic catalyst for direct methanol fuel cells | PACIFIC FUEL CELL CORP. | 2006-04-27 | — | — | US | disclosed |