Decane

Decane

SCHEMBL5401080

C=C(C)C(=O)OCOC(=O)C(=C)C.CCCCCCCCCC

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.74
THRB P10828 2/20 0.48
NAAA Q02083 1/20 0.42
DGKA P23743 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CES2 O00748 4/20 0.41
THRA P10827 1/20 0.40
EPHX1 P07099 1/20 0.39
CES1 P23141 3/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.39

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 SCHEMBL5401076 0.94 TSHR (0.67) TSHRTHRBNAAADGKAALDH1A1
SCHEMBL8400045 0.88 TSHR (0.75) TSHRTHRBNAAAALDH1A1EPHX1
SCHEMBL8452089 0.88 TSHR (0.74) TSHRTHRBNAAAALDH1A1CES2
Decane SCHEMBL2402324 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1
Decane SCHEMBL2401068 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1
Tridecane SCHEMBL2399921 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1
SCHEMBL1018256 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1
Decane SCHEMBL2399919 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1
Nonane SCHEMBL18816369 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1
SCHEMBL2401084 0.87 TSHR (0.88) TSHRTHRBNAAADGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7278849-B2 Dental prosthesis with metal-free anchoring elements IVOCLAR VIVADENT AG (LI) 2007-10-09 US disclosed
US-20040038182-A1 Dental prosthesis with metal-free anchoring elements IVOCLAR VIVADENT AG (LI) 2004-02-26 US disclosed