Hexane

Hexane

SCHEMBL28099488

CCCCCC.Cl[Al](Cl)Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
SLC22A1 O15245 3/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNM1 Q05193 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Aluminum Chloride Anhydrous SCHEMBL27743840 0.86 TSHR (0.75) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL27571273 0.84 TSHR (0.50) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL21903194 0.81 TSHR (0.47) TSHRTHRBALDH1A1LMNATDP1
Butane SCHEMBL28423681 0.80
Hexane SCHEMBL268437 0.80
Hexane SCHEMBL357364 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL5017645 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL9859565 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL9557662 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL399 0.80

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
CN-118290620-A Supported late transition metal catalyst and preparation method and application thereof 中国石油化工股份有限公司 2024-07-05 CN disclosed
CN-118251426-A Alpha-olefin polymer and preparation method and application thereof 中国石油化工股份有限公司 2024-06-25 CN disclosed
CN-117960062-A Microchannel reactor and method for preparing alpha-olefin block copolymer 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-105916857-A Pyrrolopyrrolone derivatives and their use as BET inhibitors 诺华股份有限公司 2016-08-31 CN disclosed