Decane

Decane

SCHEMBL19922889

CCCCCCCCCC.Cc1nccn1C.Cc1nccn1C

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 1/20 0.60
TLR8 Q9NR97 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TBXAS1 P24557 1/20 0.41
LPO P22079 1/20 0.40
TLR7 Q9NYK1 1/20 0.38
HTT P42858 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
GALR3 O60755 2/20 0.36
ATM Q13315 2/20 0.36
MAPK1 P28482 2/20 0.36

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
Hexane SCHEMBL28888133 0.98 ALDH1A1 (0.62) POLBALDH1A1KMT2ATLR8CYP1A2
Pentane SCHEMBL19922685 0.94 ALDH1A1 (0.62) POLBALDH1A1KMT2ATLR8CYP1A2
Butane SCHEMBL28373996 0.89 ALDH1A1 (0.55) POLBALDH1A1KMT2ATLR8CYP1A2
Tetrabuthylammonium SCHEMBL28466215 0.87 ALDH1A1 (0.51) POLBALDH1A1KMT2ATLR8CYP1A2
SCHEMBL4035024 0.85 ALDH1A1 (0.53) POLBALDH1A1KMT2ATLR8CYP1A2
SCHEMBL16694847 0.84
SCHEMBL15149 0.84
Bromoethane SCHEMBL28928799 0.83 ALDH1A1 (0.48) POLBALDH1A1KMT2ATLR8CYP1A2
Iodide SCHEMBL1514189 0.82
Hydrochloric Acid SCHEMBL820275 0.82

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
US-10826099-B2 Proton exchange composite membrane Tagh-e-Mina Energy Technology Co. (IR) 2020-11-03 US claimed
US-20180069257-A1 PROTON EXCHANGE COMPOSITE MEMBRANE Amirkabir University of Technology (IR) 2018-03-08 US claimed
US-10826099-B2 Proton exchange composite membrane Tagh-e-Mina Energy Technology Co. (IR) 2020-11-03 US disclosed
US-20180069257-A1 PROTON EXCHANGE COMPOSITE MEMBRANE Amirkabir University of Technology (IR) 2018-03-08 US disclosed