Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Acetonitrile. 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL16336381 | 0.89 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL17760371 | 0.89 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL2782640 | 0.89 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL62038 | 0.89 | — | — | |
| Acetonitrile SCHEMBL8068343 | 0.89 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL235806 | 0.89 | — | — | |
| Acetonitrile SCHEMBL5014259 | 0.89 | — | — | |
| Acetonitrile SCHEMBL9069073 | 0.89 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL20602258 | 0.89 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL8519410 | 0.89 | CA1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7705175-B2 | Method for producing imide ether compound | NIPPOH CHEMICALS CO., LTD. (JP) | 2010-04-27 | — | — | US | disclosed |
| US-20090005599-A1 | Method for Producing Imide Ether Compound | NIPPOH CHEMICALS CO., LTD. (JP) | 2009-01-01 | — | — | US | disclosed |