Heptane

Heptane

SCHEMBL6926414

CCCC=O.CCCCCCC

nearest known ligand 0.78

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
ALDH1A1 P00352 2/20 0.75
FAAH O00519 2/20 0.67
TRPV1 Q8NER1 2/20 0.67
ADH1B P00325 3/20 0.55
ADH1A P07327 3/20 0.55
ADH7 P40394 3/20 0.55
ADH1C P00326 2/20 0.55
EPHX1 P07099 1/20 0.55
ADH4 P08319 1/20 0.55
THRB P10828 1/20 0.50
DNM1 Q05193 3/20 0.45
HIF1A Q16665 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
Decane SCHEMBL5361009 1.00 TSHR (0.78) TSHRALDH1A1FAAHTRPV1ADH1B
Hexane SCHEMBL6930185 0.97 ALDH1A1 (0.80) TSHRALDH1A1FAAHTRPV1ADH1B
Heptanal SCHEMBL11225715 0.94 TSHR (0.89) TSHRALDH1A1FAAHTRPV1ADH1B
Hexanal SCHEMBL825305 0.91 TSHR (0.83) TSHRALDH1A1FAAHTRPV1ADH1B
Undecanal SCHEMBL2684955 0.88 TSHR (1.00) TSHRALDH1A1FAAHTRPV1ADH1B
Tridecanal SCHEMBL38928 0.88 TSHR (1.00) TSHRALDH1A1FAAHTRPV1ADH1B
Decanal SCHEMBL7728978 0.88 TSHR (1.00) TSHRALDH1A1FAAHTRPV1ADH1B
Heptanal SCHEMBL10533943 0.88 TSHR (1.00) TSHRALDH1A1FAAHTRPV1ADH1B
SCHEMBL120789 0.88 TSHR (1.00) TSHRALDH1A1FAAHTRPV1ADH1B
SCHEMBL9234870 0.88 TSHR (1.00) TSHRALDH1A1FAAHTRPV1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107164364-A The method that screening anoplophora glabripennis lures composition and prepares anoplophora glabripennis attractant 黑龙江省森林保护研究所 2017-09-15 CN claimed
CN-107164364-A The method that screening anoplophora glabripennis lures composition and prepares anoplophora glabripennis attractant 黑龙江省森林保护研究所 2017-09-15 CN disclosed
CN-106008178-A Organoleptic compounds 国际香料和香精公司 2016-10-12 CN disclosed
US-6743953-B2 FORMING MATERIAL HIGH IN TRANS-LUTEIN AND/OR ZEAXANTHIN; SAPONIFIYING MARIGOLD OR CHINESE WOLFBERRY OLEORESIN WITH POTASSIUM HYDROXIDE IN ISOPROPANOL, REMOVING ALCOHOL UNDER REDUCED PRESSURE, DILUTING AND EXTRACTING WITH ETHYL ACETATE KANCOR FLAVOURS & EXTRACTS LTD. (IN) 2004-06-01 US disclosed