Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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.
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 SCHEMBL27516310 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28016755 | 0.88 | — | — | |
| Acetonitrile SCHEMBL7066895 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28720121 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27949872 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL508545 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.87 | — | — | |
| Acetonitrile SCHEMBL2562219 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773367-B | Boron aza condensed ring spontaneous combustion ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-09-12 | — | — | CN | disclosed |
| CN-114790217-B | Boron-containing self-ignition ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-09-12 | — | — | CN | disclosed |