Phenylacetylene

Phenylacetylene

SCHEMBL6890540

C#C.C#Cc1ccccc1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
HDAC8 Q9BY41 3/20 0.48
TSHR P16473 1/20 0.45
CYP2C9 P11712 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CA4 P22748 1/20 0.39
MAPT P10636 1/20 0.38
PTPN1 P18031 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
Phenylacetylene SCHEMBL6891916 0.97 APP (0.53) APPHDAC8TSHRCYP2C9CA12
Phenylacetylene SCHEMBL1331408 0.97
Phenylacetylene SCHEMBL4884 0.97
Phenylacetylene SCHEMBL4297769 0.97
Phenylacetylene SCHEMBL1331398 0.97
Phenylacetylene SCHEMBL27795197 0.97 APP (0.53) APPHDAC8TSHRCYP2C9CA12
Phenylacetylene SCHEMBL1331558 0.97
Phenylacetylene SCHEMBL23273254 0.93
Phenylacetylene SCHEMBL10421188 0.93
Phenylacetylene SCHEMBL20705253 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322644-B Modified alkynyl polymer coating constructed in situ at interface and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-06-02 CN claimed
CN-115322644-A Modified alkynyl polymer coating constructed in situ at interface and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-11-11 CN claimed
CN-102911346-A Water-soluble conjugate asymmetric small molecular of which main chain contains oligomeric phenylene ethynylene and synthesis and application thereof UNIV NANJING POSTS & TELECOMM 2013-02-06 CN claimed
CN-115322644-B Modified alkynyl polymer coating constructed in situ at interface and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-06-02 CN disclosed
CN-115322644-A Modified alkynyl polymer coating constructed in situ at interface and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-11-11 CN disclosed
CN-107641088-B A kind of synthetic method of benzonitrile class compound 浙江工业大学 2019-05-31 CN disclosed
CN-106854159-B A kind of phenylacetylene carbonyl compound at unsaturated aromatic ester method 中国科学院大连化学物理研究所 2019-01-04 CN disclosed
CN-108640843-A The preparation method of 3-aminophenylacetylene 深圳蓝新科技有限公司 2018-10-12 CN disclosed
CN-105342554-B disease detection instrument 安派科生物医学科技有限公司 2018-06-12 CN disclosed
CN-104303056-B For improving the micro element of disease detection 昌和生物医学科技(扬州)有限公司 2018-04-06 CN disclosed
CN-105353143-B disease detection instrument 安派科生物医学科技有限公司 2018-02-02 CN disclosed
CN-107034132-A Tumour cell detector 安派科生物医学科技有限公司 2017-08-11 CN disclosed
CN-107012078-A Tumour cell detector 安派科生物医学科技有限公司 2017-08-04 CN disclosed
CN-106995780-A Tumour cell detector 安派科生物医学科技有限公司 2017-08-01 CN disclosed
CN-106929401-A Tumour cell detector 安派科生物医学科技有限公司 2017-07-07 CN disclosed
CN-106854159-A A kind of method of phenylacetylene carbonyl compound into unsaturated aromatic ester 中国科学院大连化学物理研究所 2017-06-16 CN disclosed
CN-103314294-A Disease detection device ANPAC BIO MEDICAL SCIENCE CO LTD 2013-09-18 CN disclosed
CN-103109186-A disease detector ANPAC BIO MEDICAL SCIENCE CO LTD 2013-05-15 CN disclosed
CN-102911346-A Water-soluble conjugate asymmetric small molecular of which main chain contains oligomeric phenylene ethynylene and synthesis and application thereof UNIV NANJING POSTS & TELECOMM 2013-02-06 CN disclosed
WO-2004050231-A2 (BIO) ORGANIC OLIGOMERS FOR THE PREPARATION OF MACROMOLECULES AARHUS UNIVERSITET (DK) 2004-06-17 WO disclosed