Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 SCHEMBL2255717 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7327719 | 1.00 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL1037904 | 1.00 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL9188145 | 1.00 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL27696068 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2424968 | 0.96 | — | — | |
| Acetonitrile SCHEMBL4864430 | 0.96 | — | — | |
| Acetonitrile SCHEMBL4422203 | 0.96 | — | — | |
| Acetonitrile SCHEMBL5101803 | 0.96 | — | — | |
| Acetonitrile SCHEMBL9044559 | 0.96 | — | — |
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 1215 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118290429-A | Preparation method of non-zolpidem intermediate and non-zolpidem | 山东百诺医药股份有限公司 | 2024-07-05 | — | — | CN | claimed |
| CN-117987005-A | Compound for transparent flame-retardant coating and preparation method and application thereof | 上海品诚控股集团有限公司 | 2024-05-07 | — | — | CN | claimed |
| CN-117285699-A | Solid electrolyte prepolymerization liquid, solid electrolyte and electrochemical device | 深圳市贝特瑞新能源技术研究院有限公司 | 2023-12-26 | — | — | CN | claimed |
| CN-117209396-A | Adipoyl-2, 2' -dimethylhydrazine and preparation method thereof | 西安航洁化工科技有限责任公司 | 2023-12-12 | — | — | CN | claimed |
| WO-2023215531-A1 | COMPLEX LIPID NANOPARTICLES ENCAPSULATING POLYPEPTIDES AND USES THEREOF | SENDA BIOSCIENCES, INC. (US) | 2023-11-09 | — | — | WO | claimed |
| CN-116102922-B | Preparation method of photonic crystal coating with photocatalysis and superhydrophobic functions | 华鸿画家居股份有限公司 | 2023-10-10 | — | — | CN | claimed |
| CN-116741519-A | Magnetic nano composite particle, preparation method thereof and application thereof in cancer marker detection | 福建师范大学 | 2023-09-12 | — | — | CN | claimed |
| WO-2023159532-A1 | METHOD FOR DETECTING ORGANOPHOSPHORUS PESTICIDES BY USING MICROFLUIDIC CHIP BASED ON FLUORESCENT SENSING FILM | 江苏大学 | 2023-08-31 | — | — | WO | claimed |
| CN-114974905-B | Preparation method of bipyridine ruthenium dye co-sensitized solar cell photo-anode | 兰州大学 | 2023-08-15 | — | — | CN | claimed |
| CN-116500156-A | Separation and detection method for perindopril tert-butylamine stereoisomer impurity | 上海市食品药品检验研究院 | 2023-07-28 | — | — | CN | claimed |
| EP-1740539-A2 | PREPARATION OF TEGASEROD AND TEGASEROD MALEATE | Teva Pharmaceutical Industries Ltd (IL) | 2007-01-10 | — | — | EP | claimed |
| US-7098351-B2 | Process for the production of fatty acid amides | MALAYSIAN PALM OIL BOARD (MY) | 2006-08-29 | — | — | US | claimed |
| US-20060106086-A1 | Preparation of tegaserod and tegaserod maleate | TEVA PHARMACEUTICALS USA, INC. | 2006-05-18 | — | — | US | claimed |
| WO-2006003471-A2 | PROCESS FOR THE PREPARATION OF PRAMIPEXOLE BY CHIRAL CHROMATOGRAPHY | GENERICS [UK] LIMITED (GB) | 2006-01-12 | — | — | WO | claimed |
| WO-2005105740-A2 | PREPARATION OF TEGASEROD AND TEGASEROD MALEATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2005-11-10 | — | — | WO | claimed |
| US-20050148558-A1 | Crystalline, solvent free, storage stable cis form 1-alphahydroxyvitamin D2; tosylating 3-position hydroxy group, cyclization, hydroxylating in 1 alpha position and decyclization to cis and trans vitamin forms; irradiating conversion of trans to cis; recrystallizing and vacuum oven drying | BONE CARE INTERNATIONAL, INC. (US) | 2005-07-07 | — | — | US | claimed |
| EP-1301479-A2 | STABILIZED 1$g(a)-HYDROXY VITAMIN D | Bone Care International, Inc. (US) | 2003-04-16 | — | — | EP | claimed |
| US-20030045509-A1 | Hydroxyvitamin D characterized by a purity equal to or greater than 98% by a weight-based HPLC assay, residual solvents of 0.5% or less, a total impurity of 1. 5% or less, and no single impurity of greater than 0.5%. | BONE CARE INTERNATIONAL, INC. | 2003-03-06 | — | — | US | claimed |
| WO-2002006218-A2 | STABILIZED 1α-HYDROXY VITAMIN D | BONE CARE INTERNATIONAL, INC. (US) | 2002-01-24 | — | — | WO | claimed |
| US-6288277-B1 | DRUGS, ANTIARTHRITIC AGANTS, ANTIHISTAMINES FOR TREATMENT OF ASTHMA | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-09-11 | — | — | US | claimed |