SCHEMBL278267

SCHEMBL278267

C=CCc1ccccc1C(C)(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.34
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
BDKRB2 P30411 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
Bromide SCHEMBL9662608 0.98 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Hydrochloric Acid SCHEMBL170004 0.98 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Iodide SCHEMBL8165516 0.98 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Water SCHEMBL2392756 0.98 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Hydrochloric Acid SCHEMBL11567894 0.96 GABRA1 (0.38) GABRA1GABRB2ALDH1A1ELANEADRB2
Acetic Acid SCHEMBL11274105 0.90 ELANE (0.40) GABRA1GABRB2ALDH1A1ELANETSHR
SCHEMBL6841870 0.84 GABRA1 (0.42) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL2003722 0.82 GABRA1 (0.41) GABRA1GABRB2ALDH1A1ELANEADRB2
Hydrochloric Acid SCHEMBL859874 0.82 GABRA1 (0.40) GABRA1GABRB2ALDH1A1LMNAADRA2C
Iodide SCHEMBL19307326 0.82 GABRA1 (0.36) GABRA1GABRB2ALDH1A1ELANEADRB2

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 2107 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12027706-B2 Amorphous carbon material, preparation method and use thereof China Energy Investment Corporation Limited (CN) 2024-07-02 US claimed
US-12017916-B2 Amorphous carbon material, prepared by subjecting mixture of carbonaceous material and aqueous solution to phase separation and drying, preparation method and use thereof China Energy Investment Corporation Limited (CN) 2024-06-25 US claimed
US-20240041033-A1 ANTIMICROBIAL COMPOSITION COMPRISING AN ALKYLDIMETHYLBENZYLAMMONIUM COMPOUND THE PROCTER AND GAMBLE COMPANY 2024-02-08 US claimed
US-20240041034-A1 ANTIMICROBIAL COMPOSITION COMPRISING A DIOCTYLDIMETHYLAMMONIUM COMPOUND THE PROCTER AND GAMBLE COMPANY 2024-02-08 US claimed
EP-4316241-A1 ANTIMICROBIAL COMPOSITION COMPRISING AN ALKYLDIMETHYLBENZYLAMMONIUM COMPOUND The Procter & Gamble Company (US) 2024-02-07 EP claimed
EP-4316242-A1 ANTIMICROBIAL COMPOSITION COMPRISING A DIOCTYLDIMETHYLAMMONIUM COMPOUND The Procter & Gamble Company (US) 2024-02-07 EP claimed
WO-2023159278-A1 ANTI-PATHOGENIC AEROSOL COMPOSITIONS Squire Kent Pty Limited (AU) 2023-08-31 WO claimed
WO-2023033414-A1 LIPOSOMAL COSMETIC COMPOSITION WITH EXCELLENT CAPTURE PERFORMANCE OF EFFECTIVE COMPONENT 한국콜마주식회사 2023-03-09 WO claimed
CN-115741481-A Sand blasting cleaning method 中微半导体设备(上海)股份有限公司 2023-03-07 CN claimed
CN-111868219-B Brittle material processing liquid composition 出光兴产株式会社 2022-09-27 CN claimed
WO-1994000548-A1 COMPOSITIONS CONTAINING ORGANIC PERACID AND QUATERNARY AMMONIUM COMPOUND LAPORTE E.S.D. LIMITED (GB) 1994-01-06 WO claimed
US-5266103-A Printed circuits C. UYEMURA & CO., LTD. (JP) 1993-11-30 US claimed
US-5160450-A Polyoxyethylene sulfates, sulfonates, carboxylates, phosphates and polyoxyethylene oxide modified with a hydrazine and then a carboxylic acid LION CORPORATION (JP) 1992-11-03 US claimed
US-5128454-A Coupling HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US claimed
US-5089252-A Amphoteric polymer of betainised dialkylaminoalkyl acrylate or dialkylaminoalkyl acrylamide and cationic deriative L'OREAL (FR) 1992-02-18 US claimed
EP-0197876-B1 THERAPEUTICAL COMPOSITION FOR USE IN DERMATOLOGY CONTAINING IMIDAZOLIDINYL UREA AS AN ACTIVE SUBSTANCE ANBEN (FR) 1990-07-11 EP claimed
EP-0175338-A2 Disinfectants and antiseptics Takeda Chemical Industries, Ltd. (JP) 1986-03-26 EP claimed
US-4182765-A OIL ADDITIVES NIPPON OIL COMPANY LIMITED (JP) 1980-01-08 US claimed
US-4161425-A CHOLESTEROL OXIDASE AND ESTERASE, QUATERNARY AMMONIUM SURFACTANT BECKMAN INSTRUMENTS, INC. (US) 1979-07-17 US claimed
US-4048324-A COPPER SALT OR HYDROXIDE, ALIPHATIC AMINE OR POLYAMINE KOHN ARMAND 1977-09-13 US claimed