Dodecane

Dodecane

SCHEMBL11599088

CCCCCCCCCCCC.Cl[P]Cl

nearest known ligand 0.67

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
ALDH1A1 P00352 3/20 0.56
DNM1 Q05193 7/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL11599249 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Decane SCHEMBL11600316 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Heptane SCHEMBL11601659 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Octane SCHEMBL11599303 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Hexadecane SCHEMBL11600154 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL11599253 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL11599706 0.96
Pentane SCHEMBL11600510 0.87
SCHEMBL11600080 0.87 TSHR (0.81) TSHRTHRBALDH1A1DNM1LMNA
Decane SCHEMBL23499900 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed