SCHEMBL6557693

SCHEMBL6557693

CC(CBr)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
TAAR1 Q96RJ0 5/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MAOA P21397 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
SLC18A2 Q05940 1/20 0.50
CYP2D6 P10635 1/20 0.50
TRPA1 O75762 3/20 0.48
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 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
SCHEMBL4785594 0.85 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11174182 0.81 ALDH1A1 (0.44) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8072287 0.80 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27847059 0.80 SIGMAR1 (0.44) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4078807 0.79 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28051645 0.78 TRPA1 (0.57) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Benzene SCHEMBL3082124 0.78 TRPA1 (0.57) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL199315 0.78 TRPA1 (0.57) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28785111 0.78 SIGMAR1 (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3823443 0.77 TAAR1 (0.68) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118771973-A Preparation method of ibuprofen 山东新华制药股份有限公司 2024-10-15 CN claimed
EP-1394141-A1 Preparation of aryl olefins ALBEMARLE CORPORATION (US) 2004-03-03 EP claimed
EP-0961765-B1 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORP (US) 2003-07-09 EP claimed
US-6096920-A LARGE-SCALE PRODUCTION OF CERTAIN AROMATICALLY-SUBSTITUTED ALIPHATIC CARBOXYLIC ACIDS AND THEIR ACID DERIVATIVES ALBEMARLE CORPORATION (US) 2000-08-01 US claimed
EP-0961765-A2 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 1999-12-08 EP claimed
WO-1998030529-A2 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 1998-07-16 WO claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
CN-119841735-A High-steric-hindrance triarylamine compound for organic electroluminescent device, application of high-steric-hindrance triarylamine compound and organic electroluminescent device 合肥鼎材科技有限公司 2025-04-18 CN disclosed
CN-118771973-A Preparation method of ibuprofen 山东新华制药股份有限公司 2024-10-15 CN disclosed
CN-118771973-A Preparation method of ibuprofen 山东新华制药股份有限公司 2024-10-15 CN disclosed
US-10703959-B2 Functionalized silicate nanoparticle composition, removing and exfoliating asphaltenes with same BAKER HUGHES, A GE COMPANY, LLC (US) 2020-07-07 US disclosed
US-20170247599-A1 FUNCTIONALIZED SILICATE NANOPARTICLE COMPOSITION, REMOVING AND EXFOLIATING ASPHALTENES WITH SAME BAKER HUGHES INCORPORATED 2017-08-31 US disclosed
US-9683163-B2 Functionalized silicate nanoparticle composition, removing and exfoliating asphaltenes with same BAKER HUGHES INCORPORATED (US) 2017-06-20 US disclosed
US-4770989-A USING A THERMAL SOLVENT AND GELATIN/POLYVINYPYRROLIDONE POLYMER MIXTURE; DIFFUSION TRANSFER QUALITY IMAGE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-09-13 US disclosed
EP-0262348-A2 Process for the preparation of N-substituted morpholine and piperidine derivatives HÜLS AKTIENGESELLSCHAFT (DE) 1988-04-06 EP disclosed
US-4584267-A SILVER HALIDE, SILVER SALT, REDUCING AGENT, AND BINDER OF GELATIN OR DERIVATIVE AND POLYVINYL ALCOHOL KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-04-22 US disclosed
US-4543309-A BENZOTRIAZOLE SILVER SALT, REDUCING AGENT, BINDER, AMINO-MERCAPTO TRIAZOLE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-09-24 US disclosed
EP-0144087-A2 Heat-developable color light-sensitive material KONICA CORPORATION (JP) 1985-06-12 EP disclosed
EP-0136142-A2 Thermally developable, light-sensitive material KONICA CORPORATION (JP) 1985-04-03 EP disclosed
EP-0131161-A2 Heat-developable color photosensitive element KONICA CORPORATION (JP) 1985-01-16 EP disclosed