SCHEMBL196731

SCHEMBL196731

N#CC(O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
TRPA1 O75762 1/20 0.52
LMNA P02545 5/20 0.42
MAPK1 P28482 2/20 0.42
AOC3 Q16853 3/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL21114421 1.00 TSHR (1.00) TSHRTRPA1LMNAMAPK1AOC3
SCHEMBL6061809 1.00 TSHR (1.00) TSHRTRPA1LMNAMAPK1AOC3
SCHEMBL1820543 1.00 TSHR (1.00) TSHRTRPA1LMNAMAPK1AOC3
Acetic Acid SCHEMBL7763816 0.89 TSHR (0.79) TSHRTRPA1LMNAMAPK1CACNA2D1
SCHEMBL6056000 0.89 TSHR (0.79) TSHRTRPA1LMNAALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL16058242 0.87 TSHR (0.76) TSHRTRPA1LMNAMAPK1ALDH1A1
SCHEMBL8019014 0.86 TSHR (0.75) TSHRTRPA1ALDH1A1
Dimethylketone Cyanohydrin SCHEMBL6357582 0.85 TSHR (0.73) TSHRTRPA1LMNAMAPK1AOC3
Pentane SCHEMBL28983003 0.85 TSHR (0.73) TSHRTRPA1LMNAAOC3CACNA2D1
Mandelic Acid SCHEMBL5320867 0.85 TSHR (0.73) TSHRTRPA1LMNAMAPK1ALDH1A1

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 2089 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109600-A1 PROCESS FOR PREPARATION OF SULFONYL PYRAZOLONES ADAMA AGAN LTD. (IL) 2025-05-30 WO claimed
CN-119707746-A Mandelonitrile alcohol ester compound and application thereof 江苏扬农化工股份有限公司 2025-03-28 CN claimed
CN-119632035-A Tonsillitis and isothiocyanate compound insecticidal composition, preparation and application thereof 西北农林科技大学 2025-03-18 CN claimed
US-20250084395-A1 ENGINEERED NITRILASES FOR BIOCATALYSIS KCAT ENZYMATIC PRIVATE LIMITED (IN) 2025-03-13 US claimed
WO-2025053791-A1 ONE-POT GRAFTING OF POLYMERS FROM ALCOHOLS AND BIOMASSES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
CN-113866321-B Detection method of body-building and digestion-promoting liquid 云南省食品药品监督检验研究院 2024-11-22 CN claimed
CN-114410699-B Method for producing R-mandelic acid by biocatalysis 安徽泰格生物科技有限公司 2024-08-16 CN claimed
CN-113336636-B Synthesis process of DL-mandelic acid with high yield 湖州柏特生物科技有限公司 2023-11-10 CN claimed
CN-113265392-B Cyano-group transfer catalyst and preparation method thereof 山东华素制药有限公司 2023-03-24 CN claimed
CN-115770531-A Mandelic acid production system and technology thereof 安徽中山化工有限公司 2023-03-10 CN claimed
EP-0132392-A2 Asymmetric synthesis of alpha-substituted-alpha-cyanomethyl alcohols ICI AUSTRALIA LIMITED (AU) 1985-01-30 EP claimed
US-4482760-A HYDROGENATING A CYANOHYDRIN DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-11-13 US claimed
EP-0025262-B1 ALPHA-THIO-ALPHA-ARYL-SUBSTITUTED ALKANONITRILES, PROCESS FOR THEIR PREPARATION, PROCESS FOR PREPARING ALPHA-ARYL-SUBSTITUTED ALKANONITRILES AND THE CORRESPONDING CARBOXYLIC ACIDS THEREFROM AND PROCESS FOR PREPARING INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1983-10-05 EP claimed
US-4378319-A Process for the manufacture of aromatic cyanides A. H. MARKS & CO., LIMITED (GB) 1983-03-29 US claimed
EP-0071568-A1 Mandelic acid derivatives, process for their preparation and their microbicidal application CIBA-GEIGY AG (CH) 1983-02-09 EP claimed
US-4369322-A WITH CYANOGEN CHLORIDE DEGUSSA AG (DE) 1983-01-18 US claimed
EP-0003242-B1 PROCESS FOR THE PREPARATION OF ALPHA-CYANOBENZYL ESTERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-01-20 EP claimed
EP-0025262-A2 Alpha-thio-alpha-aryl-substituted alkanonitriles, process for their preparation, process for preparing alpha-aryl-substituted alkanonitriles and the corresponding carboxylic acids therefrom and process for preparing intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-03-18 EP claimed
EP-0003242-A1 Process for the preparation of alpha-cyanobenzyl esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-08 EP claimed
US-4153626-A Preparation of α-cyanobenzyl esters SHELL OIL COMPANY (US) 1979-05-08 US claimed