Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 SCHEMBL9171798 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28016755 | 0.88 | — | — | |
| Acetonitrile SCHEMBL15638047 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28126881 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28255484 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL1331294 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.87 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109715202-A | Compounds, compositions and methods for treating diseases | 斯必乐维生物科学公司 | 2019-05-03 | — | — | CN | disclosed |