SCHEMBL6281632

SCHEMBL6281632

CCCCP(c1ccccc1)c1ccccc1.Cl[Pd]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
LTA4H P09960 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
PTGS2 P35354 1/20 0.33
CYP3A4 P08684 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL49617 0.94 TDP1 (0.38) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL28811735 0.92 TDP1 (0.35) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL30514704 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Hydrochloric Acid SCHEMBL28497176 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Iodide SCHEMBL28208394 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Bromide SCHEMBL1577209 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL10585317 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Hydrochloric Acid SCHEMBL28975804 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL9414101 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL27678243 0.91 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813586-A Synthesis method of natural active product 4,5-Dimethoxycandidusin A 海南大学 2023-09-29 CN claimed
CN-107175134-B It is a kind of to be used to prepare 3-aminophenylacetylene or the composition of its salt and application thereof 成都西岭源药业有限公司 2018-03-23 CN claimed
CN-107722145-A A kind of preparation method of hydrogenated nitrile-butadiene rubber 中国石油化工股份有限公司 2018-02-23 CN claimed
CN-107722147-A A kind of process for selective hydrogenation of polar polymer 中国石油化工股份有限公司 2018-02-23 CN claimed
CN-107175134-A It is a kind of to be used to prepare 3-aminophenylacetylene or the composition of its salt and application thereof 成都西岭源药业有限公司 2017-09-19 CN claimed
CN-106518761-A Preparation method of phenanthridine compound 遵义医学院 2017-03-22 CN claimed
CN-103665803-B Crystallized polylactic acid based on metal cyclopalladated compound, preparation method of polylactic acid and application of metal cyclopalladated compound UNIV HUNAN 2015-07-01 CN claimed
CN-103804457-A Preparation method of abiraterone acetate UNIV PEKING FOUNDER GROUP CO 2014-05-21 CN claimed
CN-103665803-A Crystallized polylactic acid based on metal cyclopalladated compound, preparation method of polylactic acid and application of metal cyclopalladated compound UNIV HUNAN 2014-03-26 CN claimed
JP-9020761-A None JP disclosed
CN-107175134-B It is a kind of to be used to prepare 3-aminophenylacetylene or the composition of its salt and application thereof 成都西岭源药业有限公司 2018-03-23 CN disclosed
CN-107722145-A A kind of preparation method of hydrogenated nitrile-butadiene rubber 中国石油化工股份有限公司 2018-02-23 CN disclosed
CN-107722147-A A kind of process for selective hydrogenation of polar polymer 中国石油化工股份有限公司 2018-02-23 CN disclosed
CN-107652280-A One kind has 1,8 naphthalimide compounds and its synthetic method of red fluorescence 台州学院 2018-02-02 CN disclosed
CN-102285937-B Method for synthesizing febuxostat ARROMAX PHARMATECH SUZHOU CO LTD 2013-06-19 CN disclosed
CN-101910188-B Process for producing optically active amines SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
CN-102285937-A Method for synthesizing febuxostat 2011-12-21 CN disclosed
CN-101910188-A Process for producing optically active amines SUMITOMO CHEMICAL CO 2010-12-08 CN disclosed
JP-2005220075-A METHOD FOR PRODUCING HETEROCYCLIC COMPOUND, AND CATALYTIC SYSTEM RIKOGAKU SHINKOKAI 2005-08-18 JP disclosed
JP-H0920761-A ACYLATION OF TRIAZINE DERIVATIVE NISSAN CHEM IND LTD 1997-01-21 JP disclosed