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 SCHEMBL79033 | 1.00 | — | — | |
| Acetonitrile SCHEMBL3156059 | 1.00 | TSHR (0.31) | — | |
| Acetonitrile SCHEMBL29776468 | 0.94 | — | — | |
| Acetonitrile SCHEMBL30872199 | 0.94 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL10561604 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10898984 | 0.88 | — | — | |
| Acetonitrile SCHEMBL20357991 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10790879 | 0.88 | — | — | |
| Acetonitrile SCHEMBL19182435 | 0.88 | — | — | |
| Acetonitrile SCHEMBL6239339 | 0.88 | TSHR (0.31) | — |
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 427 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120192262-A | Large-steric-hindrance nitrile compound and preparation method and application thereof | 苏州大学 | 2025-06-24 | — | — | CN | claimed |
| CN-118530237-B | Synthesis method of wiglissade | 江苏海洋大学 | 2024-12-20 | — | — | CN | claimed |
| CN-118530237-A | Synthesis method of wiglissade | 江苏海洋大学 | 2024-08-23 | — | — | CN | claimed |
| CN-117886790-A | Synthesis method of CochlearolB | 陕西师范大学 | 2024-04-16 | — | — | CN | claimed |
| CN-116514679-A | Palladium-catalyzed sp with low-cost and high-efficiency quaternary ammonium nitrate as oxidant 2 And sp (sp) 3 Carbon hydrogen bond alkenylation method | 南京工业大学 | 2023-08-01 | — | — | CN | claimed |
| CN-114702409-B | Method for synthesizing homoallylnitrile compound by using allyl alcohol and acetonitrile | 大连理工大学 | 2023-06-20 | — | — | CN | claimed |
| CN-112830905-B | Benzo [ f ] indeno [1,2-d ] [1,2] thiazepine 5-oxy series compounds having a quaternary ring system structure | 江西师范大学 | 2023-04-14 | — | — | CN | claimed |
| CN-108623496-B | Preparation method of 3-ethyl-4-fluorobenzonitrile | 上海特化医药科技有限公司 | 2022-11-08 | — | — | CN | claimed |
| CN-114702409-A | Method for synthesizing homoallylnitrile compound by using allyl alcohol and acetonitrile | 大连理工大学 | 2022-07-05 | — | — | CN | claimed |
| WO-2021212974-A1 | RACEMIC AND CHIRAL 3-(2,3-BUTADIENYL)OXYINDOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 复旦大学 (CN) | 2021-10-28 | — | — | WO | claimed |
| US-20100228036-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | CHEN QINGHAO | 2010-09-09 | — | — | US | claimed |
| EP-2212294-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | Merck Sharp & Dohme Corp. (US) | 2010-08-04 | — | — | EP | claimed |
| WO-2009054925-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | MERCK & CO., INC. (US) | 2009-04-30 | — | — | WO | claimed |
| CN-101417972-A | 3-methylene-indol-2-one derivates and preparation method thereof | UNIV WENZHOU (CN) | 2009-04-29 | — | — | CN | claimed |
| CN-1210318-C | Addition polymers derived from norbornene-functional monomers and process therefor | SUMITOMO BAKELITE CO (JP) | 2005-07-13 | — | — | CN | claimed |
| CN-1148396-C | Photoeresist composition comprising polycyclic polymers with acid labile pendant groups | ס�ѵ�ľ��ʽ���� | 2004-05-05 | — | — | CN | claimed |
| CN-1104450-C | Homopolymers and copolymers of cationically polymerizable monomers and process for their preparation | GOODRICH CO B F (US) | 2003-04-02 | — | — | CN | claimed |
| CN-1229094-A | Addition polymers derived from norbornene-functional monomers and process therefor | GOODRICH CO B F (US) | 1999-09-22 | — | — | CN | claimed |
| CN-1171101-A | Process for preparation of aromatic 0-sulfocarboxylic acids and sulfonylureas | CIBA GEIGY AG (CH) | 1998-01-21 | — | — | CN | claimed |
| CN-1135225-A | Addition polymers from norbornene-functional monomers and methods of making the same | GOODRICH CO B F (US) | 1996-11-06 | — | — | CN | claimed |