Heptanal

Heptanal

SCHEMBL28118481

CCCCCCC=O.Cc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
FAAH O00519 3/20 0.55
TRPV1 Q8NER1 2/20 0.55
TDP1 Q9NUW8 1/20 0.44
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
LMNA P02545 3/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
Hexanal SCHEMBL5802697 0.98 TSHR (0.58) TSHRFAAHTRPV1TDP1SOAT2
Toluene SCHEMBL28181294 0.92 TSHR (0.58) TSHRFAAHTRPV1TDP1LMNA
Toluene SCHEMBL26181044 0.86 TSHR (0.52) TSHRTRPV1LMNAALOX12ACHE
Benzene SCHEMBL28034489 0.85 TSHR (0.84) TSHRFAAHTRPV1TDP1LMNA
Decanal SCHEMBL28179984 0.85 TSHR (0.84) TSHRFAAHTRPV1TDP1LMNA
Toluene SCHEMBL9799830 0.84 ALDH1A1 (0.55) TSHRLMNAALOX12ACHEALDH1A1
Heptane SCHEMBL16466974 0.83 TSHR (0.61) TSHRLMNAALOX12ACHEHTT
Octane SCHEMBL11193559 0.83 TSHR (0.61) TSHRLMNAALOX12ACHEHTT
Heptane SCHEMBL7745742 0.83 TSHR (0.61) TSHRLMNAALOX12ACHEHTT
Decane SCHEMBL7261270 0.83 TSHR (0.61) TSHRLMNAALOX12ACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107513411-B A kind of production method of wax polish 中国石油化工股份有限公司 2019-06-18 CN claimed
CN-107523223-A A kind of method for preparing wax polish 中国石油化工股份有限公司 2017-12-29 CN claimed
CN-107523222-A A kind of preparation method of wax polish 中国石油化工股份有限公司 2017-12-29 CN claimed
CN-107513411-A A kind of production method of wax polish 中国石油化工股份有限公司 2017-12-26 CN claimed
CN-107022209-A A kind of lithium ion battery separator coating of high wellability 合肥星源新能源材料有限公司 2017-08-08 CN claimed
CN-106328862-A Preparation method for crosslinked polyimide gel polymer electrolyte membrane 郑少华 2017-01-11 CN claimed
CN-110511718-A A kind of high-temperature insulation adhesive film material and preparation method thereof SHENZHEN INST OF ADV TECH CAS 2019-11-29 CN disclosed
CN-110078880-A Isocyanate-crosslinked polyethylene glycol decanedioic acid glyceride bioelastomer and its preparation method and application 华东理工大学 2019-08-02 CN disclosed
CN-110016729-A Hollow PLA fiber and preparation method thereof containing metal-modified cross carboxylate 上海德福伦化纤有限公司 2019-07-16 CN disclosed
CN-106770772-B The separation of p-hydroxybenzoate and qualitative, quantitative approach in skin articles 上海微谱化工技术服务有限公司 2019-06-07 CN disclosed
CN-109735922-A Cross section fiber and preparation method thereof containing metal-modified cross carboxylate 东华大学 2019-05-10 CN disclosed
CN-109629038-A Flame-proof polylactic acid fiber and preparation method thereof containing metal-modified cross carboxylate 上海德福伦化纤有限公司 2019-04-16 CN disclosed
CN-106543464-B A kind of method and product of grafting amphoteric ion and silver raising polyimides film properties 华中科技大学 2019-04-12 CN disclosed
CN-108976153-A Antibacterial hydrophilic compounds and application 深圳大学 2018-12-11 CN disclosed
CN-105375001-B A kind of preparation method of sulfur-bearing electrode material 广东烛光新能源科技有限公司 2018-09-11 CN disclosed
CN-105440312-B A kind of filling plastic reinforcement modified coal ash and preparation method thereof 四川化工职业技术学院 2018-08-14 CN disclosed
CN-105273249-B A kind of rubber reinforcement modified coal ash and preparation method thereof 四川化工职业技术学院 2017-08-04 CN disclosed
CN-106770772-A The separation of p-hydroxybenzoate and qualitative, quantitative approach in skin articles for use 上海微谱化工技术服务有限公司 2017-05-31 CN disclosed
CN-103184264-B HIV type I protease inhibitor screened out from crude extract of Berberis nummularia Bge, and application thereof 天津市国际生物医药联合研究院 2017-05-17 CN disclosed
CN-106543464-A A kind of grafting amphion and silver improve the method and product of polyimides film properties 华中科技大学 2017-03-29 CN disclosed