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 SCHEMBL165082 | 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
Appears in 2928 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122059813-A | Synthesis method of 1, 1-diaryl ethylene | 南通大学 | 2026-05-19 | — | — | CN | claimed |
| CN-122010923-A | Benzothiadiazole fluorescent probe and preparation and application thereof | 皖南医学院 | 2026-05-12 | — | — | CN | claimed |
| EP-4714955-A1 | VERSATILE INTERMEDIATE FOR OPIOID DERIVATIVES, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shaoxing Zejun Pharmaceuticals Co., Ltd (CN) | 2026-03-25 | — | — | EP | claimed |
| US-12398089-B2 | Method for preparing organic carboxylic ester by using combined catalyst of aryl bidentate phosphine ligand | NANJING CHENGZHI CLEAN ENERGY CO. LTD. (CN) | 2025-08-26 | — | — | US | claimed |
| US-20250206723-A1 | METHODS AND PROCESSES FOR THE PREPARATION OF MCT4 INHIBITORS | Vettore, LLC | 2025-06-26 | — | — | US | claimed |
| CN-120192275-A | Cyclobutadiene-containing luminescent material, preparation method and application | 深圳大学 | 2025-06-24 | — | — | CN | claimed |
| CN-120136859-A | Binaphthyl structure-assisted chiral pyridine oxazoline ligand, preparation method and application thereof | 华东理工大学 | 2025-06-13 | — | — | CN | claimed |
| CN-115745884-B | Opioid derivatives, intermediates and process for preparing the same | 绍兴赜军生物医药科技有限公司 | 2025-06-13 | — | — | CN | claimed |
| WO-2025119223-A1 | METHOD FOR SYNTHESIZING AMANITIN AND DERIVATIVE THEREOF | 上海皓元生物医药科技有限公司 | 2025-06-12 | — | — | WO | claimed |
| CN-120115185-A | Method for preparing carboxylic ester by catalyzing olefin hydrocarbon esterification through chloralkane reinforced Pd@ polyion liquid | 北京理工大学 | 2025-06-10 | — | — | CN | claimed |
| US-4952708-A | REACTING SUBSTITUTED AROMATIC ACID HALIDES WITH SUBSTITUTED DI-OR POLYSILANES USING TRANSITION METAL COMPLEX AS CATALYST | GENERAL ELECTRIC COMPANY (US) | 1990-08-28 | — | — | US | claimed |
| US-4912271-A | Process for the manufacture of vinyl chloride by reaction of acetylene with hydrogen chloride | HUELS AKTIENGESELLSCHAFT (DE) | 1990-03-27 | — | — | US | claimed |
| EP-0339455-A2 | Process for preparing biaryl compounds | GENERAL ELECTRIC COMPANY (US) | 1989-11-02 | — | — | EP | claimed |
| EP-0334590-A2 | 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor | ELI LILLY AND COMPANY (US) | 1989-09-27 | — | — | EP | claimed |
| EP-0334592-A2 | A process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins | ELI LILLY AND COMPANY (US) | 1989-09-27 | — | — | EP | claimed |
| US-4855418-A | Process for production of ceophalosporins | ELI LILLY AND COMPANY (US) | 1989-08-08 | — | — | US | claimed |
| US-4820832-A | Process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins | ELI LILLY AND COMPANY (US) | 1989-04-11 | — | — | US | claimed |
| EP-0043485-B1 | METHOD OF ACTIVATING SURFACES FOR ELECTROLESS PLATING | BAYER AG (DE) | 1985-05-15 | — | — | EP | claimed |
| US-4006047-A | Catalysts for electroless deposition of metals on comparatively low-temperature polyolefin and polyester substrates | AMP INCORPORATED (US) | 1977-02-01 | — | — | US | claimed |
| US-3937857-A | THERMAL DECOMPOSITION, NONCONDUCTIVE SUBSTRATE | AMP INCORPORATED (US) | 1976-02-10 | — | — | US | claimed |