SCHEMBL44621

SCHEMBL44621

BrCc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.60
CYP1A2 P05177 2/20 0.60
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PYCR1 P32322 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
PTPN1 P18031 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL29349685 1.00 CYP2A6 (0.60) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL29707927 1.00 CYP2A6 (0.60) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL21644744 0.98 CYP2A6 (0.58) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL11028429 0.98 CYP2A6 (0.58) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL6259103 0.98 CYP2A6 (0.58) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL5681757 0.93 CYP2A6 (0.52) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL27686121 0.93 CYP2A6 (0.52) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL14077417 0.91 CYP1A2 (0.52) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL1721014 0.89 CYP1A2 (0.44) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL29707612 0.89 CYP1A2 (0.44) CYP2A6CYP1A2HTR2AHTR2CHTR2B

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 3210 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115959962-B Visible light-promoted halogenated alkane hydrodehalogenation method 中国科学院兰州化学物理研究所 2025-05-23 CN claimed
CN-115850002-B Method for hydrodehalogenating halogenated alkane 中国科学院兰州化学物理研究所 2025-05-23 CN claimed
US-20250137981-A1 SYSTEMS AND METHODS OF MEASURING SULFUR COMPOSITION IN A GAS AND LIQUIFIED GAS SAUDI ARABIAN OIL COMPANY (SA) 2025-05-01 US claimed
WO-2024125643-A1 METHOD FOR PREPARING TUMOR-ASSOCIATED ANTIGEN DSGB5 GLYCOLIPID 中国科学院上海药物研究所 2024-06-20 WO claimed
CN-118207269-A Preparation method of tumor-associated antigen DSGb glycolipid 中国科学院上海药物研究所 2024-06-18 CN claimed
CN-118146142-A Near infrared fluorescent material, preparation thereof and application of near infrared fluorescent material in visualization of latent fingerprints 贵州大学 2024-06-07 CN claimed
CN-118027116-A Pseudomonas aeruginosa O11 serotype O-antigen trisaccharide and synthesis method thereof 山东大学 2024-05-14 CN claimed
CN-115368346-B 1, 4-benzodioxane-benzimidazole salt compound and synthesis method and application thereof 曲靖师范学院 2024-04-09 CN claimed
CN-117843824-A Synthesis method of achyranthes bidentata polysaccharide ABW90-1 and/or ABW50-1 中国科学院昆明植物研究所 2024-04-09 CN claimed
CN-114773330-B Butylphthalide-oxa/thiadiazole compound and preparation method and application thereof 贵州医科大学 2024-03-15 CN claimed
US-7339082-B2 Arylbis (perfluoroalkylsulfonyl)methane and metallic salt thereof, and methods for producing the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-03-04 US claimed
US-20050070741-A1 Arylbis (perfluoroalkylsulfonyl)methane and metallic salt thereof, and methods for producing the same ISHIHARA KAZUAKI (JP) 2005-03-31 US claimed
EP-0979824-B1 Process for the preparation of substituted piperidine-epoxides HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
CN-1481357-A Arylbis (perfluoroalkylsulfonyl) methane and metal salts thereof, and process for producing the same 科学技术振兴事业团 2004-03-10 CN claimed
US-20040030192-A1 Arylbis(perfluoroalkylsulfonyl) methane and metallic salt thereof and methods for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-02-12 US claimed
EP-1344772-A1 ARYLBIS (PERFLUOROALKYLSULFONYL) METHANE, METAL SALT OF THE SAME, AND PROCESSES FOR PRODUCING THESE Japan Science and Technology Corporation (JP) 2003-09-17 EP claimed
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO claimed
EP-0979824-A1 Process for the preparation of substituted piperidine-epoxides F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP claimed
EP-0181568-A2 Anti-inflammatory/anti-allergic compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-05-21 EP claimed
US-4152352-A PRODUCTION OF ARYLPYRUVIC ACIDS RHONE-POULENC INDUSTRIES (FR) 1979-05-01 US claimed