Benzene

Benzene

SCHEMBL28131675

CP(=O)(O)O.O=S(=O)=O.c1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.57
▸ CA4 P22748 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ SRC P12931 2/20 0.32
▸ CFTR P13569 1/20 0.32
▸ PTPN1 P18031 1/20 0.31

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
Benzene SCHEMBL27723867 0.89 CA2 (0.73) CA2CA4CA5AESR1SRC
Methyl Phosphonate SCHEMBL28145526 0.89 — —
Toluene SCHEMBL28836845 0.82 LMNA (0.52) CA2CA4CA5AESR1SRC
Methyl Phosphonate SCHEMBL29461628 0.76 CA2 (1.00) CA2
Methyl Phosphonate SCHEMBL21791 0.76 — —
Methyl Phosphonate SCHEMBL21462989 0.72 — —
Pyridine SCHEMBL10628255 0.71 TSHR (0.53) CA2CA4CA5A
Biphenyl SCHEMBL377328 0.71 ACP3 (0.54) CA2CA4CA5AESR1SRC
Benzene SCHEMBL341618 0.71 CA2 (0.47) CA2CA4CA5ASRCCFTR
Methyl Phosphonate SCHEMBL2403918 0.71 — —

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646585-B A kind of preparation method of (R) 9 [2 (phosphonium mesitoyl methoxy) propyl group] adenine 扬州三友合成化工有限公司 2018-03-13 — — CN claimed
CN-107602613-A A kind of preparation method of (R) 9 [2 (phosphonium mesitoyl methoxy) propyl group] adenine 常州润联化工有限公司 2018-01-19 — — CN claimed
CN-106699814-A Preparation method of adefovir dipivoxil crystals 辰欣药业股份有限公司 2017-05-24 — — CN claimed
CN-109053799-A A kind of synthetic method of tolysulfonyl oxygen methylphosphonic acid diethylester 乐平市赛复乐医药化工有限公司 2018-12-21 — — CN disclosed
CN-109053804-A A kind of synthetic method of tenofovir 乐平市赛复乐医药化工有限公司 2018-12-21 — — CN disclosed
CN-109021011-A A method of synthesis tolysulfonyl oxygen methylphosphonic acid diethylester 山东沾化永浩医药科技有限公司 2018-12-18 — — CN disclosed
CN-108627647-A A kind of detection of posttranslational modification proteomics and quantitative approach 四川大学 2018-10-09 — — CN disclosed
CN-108358968-A A kind of preparation method of high-purity tenofovir 山东科兴生物制品有限公司 2018-08-03 — — CN disclosed
CN-105646585-B A kind of preparation method of (R) 9 [2 (phosphonium mesitoyl methoxy) propyl group] adenine 扬州三友合成化工有限公司 2018-03-13 — — CN disclosed
CN-106699814-A Preparation method of adefovir dipivoxil crystals 辰欣药业股份有限公司 2017-05-24 — — CN disclosed
CN-103848868-B method for preparing tenofovir 蚌埠丰原涂山制药有限公司 2017-04-12 — — CN disclosed
CN-106432330-A Intermediate compound of medicine LB80380 and preparing method and application thereof 天津科伦药物研究有限公司 2017-02-22 — — CN disclosed
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