SCHEMBL249728

SCHEMBL249728

C=CCc1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1B1 P15121 1/20 0.36
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6335063 0.83 GABRA1 (0.50) GABRA1GABRB2TAAR1IDO1ALDH1A1
SCHEMBL14824924 0.82 GABRA1 (0.48) GABRA1GABRB2TAAR1IDO1ALDH1A1
SCHEMBL7526525 0.82 GABRA1 (0.48) GABRA1GABRB2TAAR1IDO1ALDH1A1
SCHEMBL29763626 0.82 GABRA1 (0.56) GABRA1GABRB2ALDH1A1KDM4ECYP1A2
SCHEMBL173300 0.82 GABRA1 (0.56) GABRA1GABRB2ALDH1A1KDM4ECYP1A2
Phosphine SCHEMBL28908229 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1KDM4ECYP1A2
SCHEMBL10528834 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1KDM4ECYP1A2
SCHEMBL19437729 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1KDM4ECYP1A2
Benzene SCHEMBL28085432 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1KDM4EAKR1B1
SCHEMBL11765775 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979921-A Triphenylamine fullerene derivative and preparation method and application thereof 广西师范大学 2022-01-28 CN claimed
CN-114174354-B Process for producing modified conjugated diene polymer 株式会社LG化学 2024-10-01 CN disclosed
CN-118251424-A Copolymer and hot melt composition comprising the same 汉高股份有限及两合公司 2024-06-25 CN disclosed
WO-2023088652-A1 COPOLYMER AND HOT MELT COMPOSITIONS COMPRISING SAID COPOLYMER HENKEL AG & CO. KGAA (DE) 2023-05-25 WO disclosed
EP-4183807-A1 COPOLYMER AND HOT MELT COMPOSITIONS COMPRISING SAID COPOLYMER Henkel AG & Co. KGaA (DE) 2023-05-24 EP disclosed
CN-113979921-A Triphenylamine fullerene derivative and preparation method and application thereof 广西师范大学 2022-01-28 CN disclosed
US-20210179940-A1 WIDE TEMPERATURE RANGE AND HIGH PHOTOCHEMICAL STABILITY SMECTIC LIQUID CRYSTAL COMPOSITIONS WITH A MONOLAYER SMECTIC A PHASE (SMA1), METHOD OF OBTAINING THEREOF AND DEVICES UTILIZING THEREOF WOJSKOWA AKADEMIA TECHNICZNA (PL) 2021-06-17 US disclosed
CN-109608455-B Synthesis method of indazolo [2,3-a ] quinoline and derivatives thereof 常州大学 2021-03-02 CN disclosed
EP-3704213-A1 WIDE TEMPERATURE RANGE AND HIGH PHOTOCHEMICAL STABILITY SMECTIC LIQUID CRYSTAL COMPOSITIONS WITH A MONOLAYER SMECTIC A PHASE (SMA1), METHOD OF OBTAINING THEREOF AND DEVICES UTILIZING THEREOF Wojskowa Akademia Techniczna (PL) 2020-09-09 EP disclosed
CN-109896970-A The preparation method of 2- amino -3- carbonyl indene derivative and azatropylidene analog derivative 广东工业大学 2019-06-18 CN disclosed
US-20020032249-A1 Radiation curable silicone composition GENERAL ELECTRIC COMPANY 2002-03-14 US disclosed
EP-1099737-A1 Radiation curable silicone composition GENERAL ELECTRIC COMPANY (US) 2001-05-16 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0175402-B1 CHARGE-TRANSPORTING COMPOUNDS AND PHOTOCONDUCTIVE ELEMENTS PROVIDED WITH SUCH CHARGE-TRANSPORTING COMPOUNDS Océ-Nederland B.V. (NL) 1990-01-17 EP disclosed
US-4629671-A 2,5-BIS-(DIPHENYL-P-AMINOPHENYL-1,3,4-OXADIAZOLE DERIVATIVES OCE-NEDERLAND B.V. (NL) 1986-12-16 US disclosed
EP-0175402-A1 Charge-transporting compounds and photoconductive elements provided with such charge-transporting compounds Océ-Nederland B.V. (NL) 1986-03-26 EP disclosed
US-4186153-A Process for 1,2,4,5-tetrachlorobenzene THE DOW CHEMICAL COMPANY (US) 1980-01-29 US disclosed