Dodecanol

Dodecanol

SCHEMBL3285087

CC(C)O.CCCCCCCCCCCCO.N.N.O=S(=O)(O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Dodecanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.50
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
NAAA Q02083 1/20 0.38
PSMD14 O00487 2/20 0.38
PLA2G1B P04054 2/20 0.38
MMP2 P08253 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 1/20 0.38
GPR84 Q9NQS5 2/20 0.38
PPARA Q07869 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
Dodecanol SCHEMBL27573175 1.00 LMNA (0.56) LMNAALDH1A1HSD17B10MEN1KMT2A
Undecanol SCHEMBL28530190 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
1-Heptanol SCHEMBL28521538 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
1-Heptanol SCHEMBL28521540 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Cetostearyl Alcohol SCHEMBL7532346 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Cetyl Alcohol SCHEMBL7531171 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Decanol SCHEMBL11142450 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Cetyl Alcohol SCHEMBL7531165 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Octanol SCHEMBL8988140 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Decanol SCHEMBL5665448 0.91 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709422-B2 Method and composition for injection at a tunnel boring machine CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-05-04 US claimed
CN-1308570-C Tunnel boring method and aqueous foam used therein MBT HOLDIGN AG (DE) 2007-04-04 CN claimed
US-20070015667-A1 Method and composition for injection at a tunnel boring machine CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2007-01-18 US claimed
US-6802673-B1 Tunnel boring with foamed composition MBT HOLDING AG (CH) 2004-10-12 US claimed
CN-1369033-A tunnel drilling method MBT HOLDIGN AG (CH) 2002-09-11 CN claimed
US-7709422-B2 Method and composition for injection at a tunnel boring machine CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-05-04 US disclosed
CN-100560938-C Be used for the method and composition injected at the tunnel borer place CONSTR RES & TECH GMBH (DE) 2009-11-18 CN disclosed
EP-1599654-B1 METHOD AND COMPOSITION FOR INJECTION AT A TUNNEL BORING MACHINE CONSTR RES & TECH GMBH (DE) 2008-06-25 EP disclosed
CN-1308570-C Tunnel boring method and aqueous foam used therein MBT HOLDIGN AG (DE) 2007-04-04 CN disclosed
US-20070015667-A1 Method and composition for injection at a tunnel boring machine CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2007-01-18 US disclosed
CN-1756894-A Method and composition for injection at a tunnel boring machine CONSTR RES & TECH GMBH (DE) 2006-04-05 CN disclosed
EP-1599654-A1 METHOD AND COMPOSITION FOR INJECTION AT A TUNNEL BORING MACHINE Construction Research & Technology GmbH (DE) 2005-11-30 EP disclosed
EP-1210504-B1 TUNNEL BORING METHOD CONSTR RES & TECH GMBH (DE) 2005-04-13 EP disclosed
US-6802673-B1 Tunnel boring with foamed composition MBT HOLDING AG (CH) 2004-10-12 US disclosed
WO-2004076817-A1 METHOD AND COMPOSITION FOR INJECTION AT A TUNNEL BORING MACHINE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2004-09-10 WO disclosed
CN-1369033-A tunnel drilling method MBT HOLDIGN AG (CH) 2002-09-11 CN disclosed
EP-1210504-A1 TUNNEL BORING METHOD MBT HOLDING AG (CH) 2002-06-05 EP disclosed
WO-2001012952-A1 TUNNEL BORING METHOD MBT HOLDING AG (CH) 2001-02-22 WO disclosed