SCHEMBL167448

SCHEMBL167448

O=C(CF)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.60
CES1 P23141 3/20 0.60
PTPN1 P18031 1/20 0.60
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
ALDH1A1 P00352 2/20 0.56
ALOX15 P16050 1/20 0.56
CTNNB1 P35222 4/20 0.51
WNT3A P56704 4/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KAT6A Q92794 2/20 0.45
BCHE P06276 1/20 0.45
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL30842876 1.00 CES2 (0.60) CES2CES1PTPN1ERCC5FEN1
SCHEMBL20508992 0.84 PTPN1 (0.74) CES2CES1PTPN1ERCC5FEN1
SCHEMBL30089515 0.84 CTNNB1 (0.68) CES2CES1PTPN1ERCC5FEN1
SCHEMBL15990788 0.83 CES2 (0.63) CES2CES1PTPN1ERCC5FEN1
SCHEMBL8343202 0.82 CES2 (0.60) CES2CES1PTPN1ERCC5FEN1
SCHEMBL14732971 0.82 CTNNB1 (0.61) CES2CES1PTPN1ERCC5FEN1
SCHEMBL5806419 0.80 PTPN1 (0.58) CES2CES1PTPN1ERCC5FEN1
SCHEMBL8396548 0.80 PTPN1 (0.58) CES2CES1PTPN1ERCC5FEN1
SCHEMBL5806414 0.80 PTPN1 (0.58) CES2CES1PTPN1ERCC5FEN1
SCHEMBL166429 0.80 PTPN1 (0.58) CES2CES1PTPN1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114950159-B Preparation method of aromatic polymer separation membrane based on super acid catalysis 南京工业大学 2023-06-06 CN claimed
CN-116041212-A Preparation and application of difluoro olefin ether and oxime ether derivatives 安徽农业大学 2023-05-02 CN claimed
CN-114950159-A Preparation method of aromatic polymer separation membrane based on super-acid catalysis preparation 南京工业大学 2022-08-30 CN claimed
CN-112608277-B Fluorine-containing quinoline ester compound and preparation method and application thereof 浙江工业大学 2022-08-05 CN claimed
CN-113135590-B Preparation method of perovskite nanorod 南京邮电大学 2022-04-01 CN claimed
CN-113233498-B Method for adjusting perovskite luminescence wavelength by fluoride 南京邮电大学 2022-04-01 CN claimed
CN-113233498-A Method for adjusting perovskite luminescence wavelength by fluoride 南京邮电大学 2021-08-10 CN claimed
CN-113135590-A Preparation method of perovskite nanorod 南京邮电大学 2021-07-20 CN claimed
CN-112608277-A Fluorine-containing quinoline ester compound and preparation method and application thereof 浙江工业大学 2021-04-06 CN claimed
CN-105906656-A Synthetic method of crizotinib intermediate 凯莱英医药集团(天津)股份有限公司 2016-08-31 CN claimed
EP-0660832-B1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMA INC (US) 1998-01-14 EP claimed
CN-114950159-B Preparation method of aromatic polymer separation membrane based on super acid catalysis 南京工业大学 2023-06-06 CN disclosed
CN-116041212-A Preparation and application of difluoro olefin ether and oxime ether derivatives 安徽农业大学 2023-05-02 CN disclosed
CN-114950159-A Preparation method of aromatic polymer separation membrane based on super-acid catalysis preparation 南京工业大学 2022-08-30 CN disclosed
CN-112608277-B Fluorine-containing quinoline ester compound and preparation method and application thereof 浙江工业大学 2022-08-05 CN disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
US-4514410-A ANTICONVULSANTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-04-30 US disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP disclosed
US-4438271-A HERBICIDES UNIROYAL, INC. (US) 1984-03-20 US disclosed
EP-0079154-A2 2-Ethylsulfonyl pyridine 1-oxide derivatives UNIROYAL, INC. (US) 1983-05-18 EP disclosed