SCHEMBL5076702

SCHEMBL5076702

O=C(C(=O)c1cccc(Cl)c1Cl)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
CES2 O00748 8/20 0.57
CES1 P23141 7/20 0.57
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
P2RX7 Q99572 2/20 0.45
SMO Q99835 1/20 0.45
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL4954501 0.96 CES2 (0.64) TSHRCES2CES1ERCC5FEN1
SCHEMBL2156440 0.93 CES2 (0.67) TSHRCES2CES1ERCC5FEN1
SCHEMBL29468149 0.86 CES2 (0.78) TSHRCES2CES1ERCC5FEN1
SCHEMBL2225523 0.86 CES2 (0.78) TSHRCES2CES1ERCC5FEN1
SCHEMBL30403796 0.82 TSHR (0.64) TSHRCES2CES1ERCC5FEN1
SCHEMBL334531 0.82 TSHR (0.64) TSHRCES2CES1ERCC5FEN1
SCHEMBL7547483 0.82 TSHR (0.69) TSHRCES2CES1ERCC5FEN1
Urea SCHEMBL28476564 0.81 CES2 (0.69) TSHRCES2CES1ERCC5FEN1
Hydrochloric Acid SCHEMBL27343720 0.81 TSHR (0.62) TSHRCES2CES1ERCC5FEN1
SCHEMBL31502517 0.81 TSHR (0.62) TSHRCES2CES1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072506-B Burnout dental molding material 义获嘉伟瓦登特公司 2020-07-14 CN claimed
CN-111228124-A Rapid curing and low shrinkage stress photopolymerizable dental composites 义获嘉伟瓦登特公司 2020-06-05 CN claimed
WO-2016026915-A1 LIGHT-CURING DENTAL COMPOSITE WITH INCREASING OPACITY IVOCLAR VIVADENT AG (LI) 2016-02-25 WO claimed
US-4777190-A Photopolymerizable composition based on a vinyl compound, a sulfur-containing compound and an α-diketone MITSUBISHI RAYON COMPANY LIMITED (JP) 1988-10-11 US claimed
CN-112689646-B Radiation curable composition for rapid prototyping or rapid manufacturing processes 古莎有限公司 2023-05-09 CN disclosed
CN-115943053-A Radiation curable compositions for rapid prototyping or rapid manufacturing processes 古莎有限公司 2023-04-07 CN disclosed
CN-115916904-A Method for preparing 3D printing organic silicon 斯派克塑胶股份公司 2023-04-04 CN disclosed
CN-112940432-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2022-12-30 CN disclosed
CN-109705051-B 2, 4, 5-trisubstituted oxazole and synthesis method thereof 湖南城市学院 2022-09-23 CN disclosed
CN-114845683-A Aesthetic dental filling material with high depth of cure 义获嘉伟瓦登特公司 2022-08-02 CN disclosed
CN-114805757-A Sulfonated polyphenyl ionomer, preparation method thereof and proton exchange membrane 中国科学院深圳先进技术研究院 2022-07-29 CN disclosed
CN-113891917-A Siloxane additive manufacturing composition 斯派克塑胶股份公司 2022-01-04 CN disclosed
EP-0277376-B1 AROMATIC AMIDE GROUPS-CONTAINING DIAMINES AND POLYMERS IN WHICH THESE DIAMINES ARE INCORPORATED AKZO N.V. (NL) 1991-02-27 EP disclosed
US-4980444-A Polyamides, polyureas, polyimides; heat resistance, melt processability, high strength fibers, films AKZO N.V. (NL) 1990-12-25 US disclosed
US-4851562-A HEAT RESISTANCE, MELT PROCESS ABILITY AKZO N.V. (NL) 1989-07-25 US disclosed
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US disclosed
US-4777190-A Photopolymerizable composition based on a vinyl compound, a sulfur-containing compound and an α-diketone MITSUBISHI RAYON COMPANY LIMITED (JP) 1988-10-11 US disclosed
EP-0277376-A1 Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated AKZO N.V. (NL) 1988-08-10 EP disclosed
EP-0248954-A1 Process for reducing the amount of DDT-related impurities in 1,1-bis(chlorophenyl)-2,2,2-trichloro-ethanol ROHM AND HAAS COMPANY (US) 1987-12-16 EP disclosed
US-4281125-A CYCLIZATION DIAMOND SHAMROCK CORPORATION (US) 1981-07-28 US disclosed