SCHEMBL5758

SCHEMBL5758

CC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
CYP2A6 P11509 1/20 0.50
HDAC1 Q13547 1/20 0.46
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
ALDH1A1 P00352 5/20 0.45
KIF11 P52732 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41

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
SCHEMBL3202679 0.97 TSHR (0.52) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL12367606 0.92 KIF11 (0.56) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL177404 0.92 KIF11 (0.56) TSHRLMNATYRCYP2A6HDAC1
Bromobenzene SCHEMBL9230161 0.89 ALDH1A1 (0.55) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL21340595 0.87 KIF11 (0.46) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL1979907 0.85 CYP1A2 (0.53) TSHRLMNATYRHDAC1ALDH1A1
SCHEMBL1979909 0.85 CYP1A2 (0.53) TSHRLMNATYRHDAC1ALDH1A1
SCHEMBL9956810 0.85 TSHR (0.42) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL9458566 0.85 MAOA (0.47) TSHRLMNATYRHDAC1ALDH1A1
SCHEMBL4263451 0.85 TSHR (0.42) TSHRLMNATYRCYP2A6HDAC1

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 2572 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010840-A Salt-resistant functional monomer suitable for high-salt oilfield environment and preparation method thereof 黑龙江吉地油田服务股份有限公司 2026-05-12 CN claimed
CN-118955262-A Direct cross-coupling method of pyridine ester and aryl bromide 南京工业大学 2024-11-15 CN claimed
CN-118027919-A Modified two-dimensional nano-sheet strong adsorption plugging agent and oil-based drilling fluid 西南石油大学 2024-05-14 CN claimed
CN-116535294-B Method for synthesizing biphenyl compounds by using aqueous phase catalysis of palladium-containing high polymer micelles 成都理工大学 2024-04-19 CN claimed
CN-117777594-A Preparation method of modified PP material, branched polyethylene elastomer and bamboo-plastic composite material 安徽大学 2024-03-29 CN claimed
CN-116573994-A Direct cross-coupling method of triazine ester and aryl bromide 南京工业大学 2023-08-11 CN claimed
CN-116554009-A Electrophilic cross-coupling reaction method of aryl sulfone or heteroaryl sulfone and aryl bromide 南京工业大学 2023-08-08 CN claimed
CN-116535294-A Method for synthesizing biphenyl compounds by using aqueous phase catalysis of palladium-containing high polymer micelles 成都理工大学 2023-08-04 CN claimed
WO-2023124996-A1 SULFUR-CONTAINING CHIRAL BRIDGED METALLOECENE COMPOUND, PREPARATION THEREOF, AND APPLICATION 中国石油天然气股份有限公司 2023-07-06 WO claimed
CN-116283515-A Direct cross coupling method of aryl fluoride and aryl bromide 南京工业大学 2023-06-23 CN claimed
CN-110128231-A A kind of preparation method of diaryl acetylene compound 南京邮电大学 2019-08-16 CN claimed
CN-109053491-A Synthetic method of the acaricide cyflumetofen intermediate to tert-butyl benzene acetonitrile 山东省农药科学研究院 2018-12-21 CN claimed
US-8394541-B2 Lithium secondary battery and non-aqueous electrolytic solution UBE INDUSTRIES, LTD. (JP) 2013-03-12 US claimed
US-20110250504-A1 LITHIUM SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTIC SOLUTION UBE INDUSTRIES, LTD. (JP) 2011-10-13 US claimed
US-20050090596-A1 Organic composition HONEYWELL INTERNATIONAL INC. 2005-04-28 US claimed
EP-1463770-A1 ORGANIC COMPOSITION Honeywell International Inc. (US) 2004-10-06 EP claimed
US-20040028996-A1 Lithium secondary cell and nonaqueous electrolyte UBE INDUSTRIES, LTD. (JP) 2004-02-12 US claimed
WO-2003057755-A1 ORGANIC COMPOSITION HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 WO claimed
EP-1324417-A1 LITHIUM SECONDARY CELL AND NONAQUEOUS ELECTROLYTE Ube Industries, Ltd. (JP) 2003-07-02 EP claimed
WO-2001068740-A1 CHARGE TRANSPORT MATERIALS AVECIA LIMITED (GB) 2001-09-20 WO claimed