SCHEMBL4777765

SCHEMBL4777765

CC(=O)Oc1c(I)cc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
NLRP3 Q96P20 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
PREP P48147 3/20 0.35
CELA1 Q9UNI1 2/20 0.35
KDR P35968 1/20 0.35
TOP1 P11387 2/20 0.34
BACE1 P56817 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ABCB11 O95342 1/20 0.33
TPMT P51580 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL27092739 0.81 MEN1 (0.34) HSD17B10CES2CES1CA1CA2
SCHEMBL1994881 0.80 CA1 (0.43) CYP4F2CYP4A11PREPCELA1KDR
SCHEMBL22701893 0.78 CYP4F2 (0.37) POLBNLRP3CYP4F2CYP4A11PREP
SCHEMBL28540877 0.78 CYP4F2 (0.40) POLBNLRP3CYP4F2CYP4A11PREP
SCHEMBL7182462 0.76 KDM4E (0.45) POLBCYP4F2CYP4A11PREPCELA1
SCHEMBL570928 0.75 PREP (0.39) POLBCYP4F2CYP4A11PREPCELA1
SCHEMBL7879433 0.74 CYP4F2 (0.37) POLBNLRP3CYP4F2CYP4A11PREP
SCHEMBL7711877 0.74 CYP4F2 (0.44) POLBCYP4F2CYP4A11TOP1BACE1
SCHEMBL22118212 0.73
SCHEMBL12342059 0.73 KDM4E (0.42) POLBCYP4F2CYP4A11PREPCELA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108633-A Preparation method of L-glufosinate intermediate (S) -2- (((benzyloxy) carbonyl) amino) but-3-enoic acid methyl ester 浙江工业大学 2024-05-31 CN claimed
CN-118084706-A Synthesis method of 2- (4-hydroxyphenoxy) benzamide compound 河北科技大学 2024-05-28 CN claimed
CN-118026934-A N-azole-4-methylbenzenesulfonamide compound and preparation method and application thereof 安徽理工大学 2024-05-14 CN claimed
CN-117843600-A Fluorescent probe for detecting hypochlorous acid and preparation method and use method thereof 浙江理工大学 2024-04-09 CN claimed
CN-114539302-B P-type doped material based on triarylboron-nitrogen skeleton, and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2024-02-02 CN claimed
CN-117486968-A Preparation method of snake venom peptide 深圳创元生物医药科技有限公司 2024-02-02 CN claimed
CN-117466915-A Chromone-containing benzo [ d ] imidazo [2,1-b ] thiazole compound and preparation method and application thereof 江西科技师范大学 2024-01-30 CN claimed
CN-117304135-A Synthesis method of 4-substituted-5H-1, 2, 3-dithiazole-5-thione and derivative 衡阳师范学院 2023-12-29 CN claimed
CN-117164545-A Reversible fluorescent probe for detecting hypochlorous acid and preparation method and use method thereof 浙江理工大学 2023-12-05 CN claimed
CN-117126178-A Bisphenol thiazide compound and synthesis method thereof 湘潭大学 2023-11-28 CN claimed
CN-113461469-A Thioether aromatic heterocyclic compound and preparation method and application thereof 广东工业大学 2021-10-01 CN claimed
CN-113416186-A Berberine hydrochloride dimer and preparation method and application thereof 北京大学深圳医院 2021-09-21 CN claimed
CN-113149879-A Preparation method of 4-seleno-naphthyl ester or 4-seleno-naphthyl amide 温州医科大学 2021-07-23 CN claimed
CN-112979545-A Preparation method of 5-selenoquinoline amide or 5-selenoquinoline ester 温州医科大学 2021-06-18 CN claimed
CN-109293692-B Gem-difluoroalkyl borate compounds and preparation method and application thereof 中山大学 2021-05-11 CN claimed
CN-110483460-B Preparation method of 3-seleno-coumarin compound 温州医科大学 2021-04-20 CN claimed
CN-110698322-B Synthesis method of coastal twinborn anthane diterpene Stemarin 浙江大学 2021-01-26 CN claimed
CN-110698322-A Synthesis method of coastal twinborn anthane diterpene Stemarin 浙江大学 2020-01-17 CN claimed
EP-0127235-B1 PARTIALLY RETRO-INVERTED DECAPEPTIDE AS A SPECIFIC RENIN INHIBITOR WITH HIGH RESISTANCE TO ENZYMATIC HYDROLYSIS ENI-Ente Nazionale Idrocarburi (IT) 1988-10-19 EP claimed
EP-0127234-B1 A RETRO-INVERSO ANALOGUE OF THE (5-14) DECAPEPTIDE OF EQUINE ANGIOTENSINOGEN, AS A SPECIFIC RENIN INHIBITOR WITH HIGH RESISTANCE TO ENZYMATIC HYDROLYSIS ENI-Ente Nazionale Idrocarburi (IT) 1987-09-23 EP claimed