Hexane

Hexane

SCHEMBL28068650

CC#N.CC#N.CCCCCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
THRB P10828 1/20 0.54
LMNA P02545 3/20 0.46
SLC22A1 O15245 3/20 0.41
SLC22A2 O15244 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
DNM1 Q05193 5/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
Hexane SCHEMBL21801281 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL232226 1.00
Heptane SCHEMBL730699 0.96 TSHR (0.61) TSHRTHRBLMNASLC22A1ALDH1A1
Octane SCHEMBL28423459 0.96 TSHR (0.61) TSHRTHRBLMNASLC22A1ALDH1A1
Octane SCHEMBL28685821 0.96 TSHR (0.61) TSHRTHRBLMNASLC22A1ALDH1A1
Heptane SCHEMBL11839960 0.96 TSHR (0.61) TSHRTHRBLMNASLC22A1ALDH1A1
Nonane SCHEMBL3803426 0.96 TSHR (0.61) TSHRTHRBLMNASLC22A1ALDH1A1
Hexane SCHEMBL23782662 0.93 TSHR (0.47) TSHRTHRBLMNASLC22A1SLC22A2
Octane SCHEMBL28423377 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1ALDH1A1
Hexane SCHEMBL22689637 0.93 TSHR (0.47) TSHRTHRBLMNASLC22A1SLC22A2

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