Pentane

Pentane

SCHEMBL28068704

CC#N.CC#N.CCCCC

nearest known ligand 0.58

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
LMNA P02545 3/20 0.58
THRB P10828 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.35
SLC22A1 O15245 2/20 0.33
SLC22A2 O15244 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES1 P23141 1/20 0.32
APAF1 O14727 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32
DNM1 Q05193 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Pentane SCHEMBL15174016 1.00
Octane SCHEMBL28423377 0.93 TSHR (0.57) TSHRLMNATHRBALDH1A1SLC22A1
Hexane SCHEMBL28068650 0.92 TSHR (0.54) TSHRLMNATHRBALDH1A1SLC22A1
Hexane SCHEMBL232226 0.92
Hexane SCHEMBL21801281 0.92 TSHR (0.54) TSHRLMNATHRBALDH1A1SLC22A1
Pentane SCHEMBL28235149 0.89 TSHR (0.47) TSHRLMNATHRBALDH1A1TDP1
Heptane SCHEMBL730699 0.88 TSHR (0.61) TSHRLMNATHRBALDH1A1SLC22A1
Nonane SCHEMBL3803426 0.88 TSHR (0.61) TSHRLMNATHRBALDH1A1SLC22A1
Heptane SCHEMBL11839960 0.88 TSHR (0.61) TSHRLMNATHRBALDH1A1SLC22A1
Octane SCHEMBL28423459 0.88 TSHR (0.61) TSHRLMNATHRBALDH1A1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed
CN-106083927-A Phosphinyl amidine compound, metal complex, antigravity system and their oligomeric or purposes of olefin polymerization 切弗朗菲利浦化学公司 2016-11-09 CN disclosed
CN-102781949-B Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins 切弗朗菲利浦化学公司 2016-07-06 CN disclosed