SCHEMBL3074

SCHEMBL3074

[CH2]c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 5/20 0.53
CYP2A6 P11509 4/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 5/20 0.48
HPGD P15428 3/20 0.48
CYP3A4 P08684 2/20 0.48
KEAP1 Q14145 1/20 0.48
HPRT1 P00492 1/20 0.48
HIF1A Q16665 1/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL29026281 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL28510169 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL412049 0.85 HPRT1 (0.67) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1973016 0.79 HSD17B10 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL810384 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL130782 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2491515 0.74 DHFR (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5400007 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRTDP1CYP1A2
SCHEMBL11806091 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL16564094 0.72 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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 56545 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324824-A Multifunctional chiral multidentate phosphine ligand, preparation and application thereof 凯特立斯(深圳)科技有限公司 2024-07-12 CN claimed
CN-113402436-B Tertiary amino acid derivative, preparation method and application thereof 安徽农业大学 2024-07-12 CN claimed
CN-118290434-A Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof 南开大学 2024-07-05 CN claimed
CN-118290322-A Aromatic molecules for the treatment of pathological conditions 赛尼欧普罗有限责任公司 2024-07-05 CN claimed
WO-2024140062-A1 THIOXANTHENIUM SALT PHOTOINITIATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 常州强力电子新材料股份有限公司 2024-07-04 WO claimed
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
WO-2024140063-A1 THIOXANTHENE SULFONIUM SALT PHOTOINITIATOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 常州强力电子新材料股份有限公司 2024-07-04 WO claimed
CN-118271280-A Thioxanthene sulfonium salt photoinitiator and preparation method and application thereof 常州强力电子新材料股份有限公司 2024-07-02 CN claimed
CN-118271281-A Thioxanthene sulfonium salt photoinitiator and preparation method and application thereof 常州强力电子新材料股份有限公司 2024-07-02 CN claimed
CN-118184558-A Thiophenylamide compound, and preparation method and application thereof 五邑大学 2024-06-14 CN claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 US claimed
US-4036835-A Process for preparing cephalosporins SOCIETA' FARMACEUTICI ITALIA (IT) 1977-07-19 US claimed
US-4032596-A QUATERNARY AMMONIUM SALTS, FREE RADICAL CATALYSTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1977-06-28 US claimed
US-4021542-A Derivatives of hydrazino-monosaccharides and aldohexoses which are useful as intermediates for preparing compounds or as compounds which lower the uric acid BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-05-03 US claimed
US-4012381-A Process for preparing cephalosporins and intermediates SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1977-03-15 US claimed
US-3962290-A PROCESS FOR N,N,N',N'-TETRAARYLQUINONE DIIMONIUM SALTS AMERICAN CYANAMID COMPANY (US) 1976-06-08 US claimed
US-3936454-A ANTIANGINAL, BRONCHODILATOR WARNER-LAMBERT COMPANY (US) 1976-02-03 US claimed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 US claimed
US-3931235-A FROM THE ALKALIMETAL SALT OF 4-HYDROXY-6-METHYL-2-PYRONE AND A THIOLSULFONATE THE DOW CHEMICAL COMPANY (US) 1976-01-06 US claimed