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 SCHEMBL3156059 | 0.88 | TSHR (0.31) | — | |
| Acetonitrile SCHEMBL20357991 | 0.88 | — | — | |
| Acetonitrile SCHEMBL6239339 | 0.88 | TSHR (0.31) | — | |
| Acetonitrile SCHEMBL79033 | 0.88 | — | — | |
| Acetonitrile SCHEMBL19182435 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10561604 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10790879 | 0.88 | — | — | |
| Acetonitrile SCHEMBL11344692 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10898984 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10998570 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117368353-A | HPLC-MSIMS method for detecting metronidazole, itraconazole and hydroxyitraconazole in insect repellent powder | 济宁滨阳生物科技股份有限公司 | 2024-01-09 | — | — | CN | claimed |
| CN-117368353-A | HPLC-MSIMS method for detecting metronidazole, itraconazole and hydroxyitraconazole in insect repellent powder | 济宁滨阳生物科技股份有限公司 | 2024-01-09 | — | — | CN | disclosed |
| US-6602991-B1 | Solution composed of sodium chloride, monobasic and dibasic sodium phosphate dissolved in water; agitation, filtering and drying; use in the treatment for cholera and as antidote for ferrous ion intoxication | TRB PHARMA INDUSTRIA QUIMICA E FARMACEUTICA LTDA (BR) | 2003-08-05 | — | — | US | disclosed |
| EP-1203002-B1 | PROCESS FOR PREPARING A CHARCOAL-GM1 COMPLEX | TRB PHARMA IND QUIMICA E FARMA (BR) | 2003-05-28 | — | — | EP | disclosed |
| EP-1203002-A1 | PROCESS FOR PREPARING A CHARCOAL-GM1 COMPLEX | TRB Pharma Industria Quimica e Farmacéutica Ltda. (BR) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001009151-A1 | PROCESS FOR PREPARING A CHARCOAL-GM1 COMPLEX | TRB PHARMA INDÚSTRIA QUÍMICA E FARMACÊUTICA LTDA. (BR) | 2001-02-08 | — | — | WO | disclosed |