Hexane

Hexane

SCHEMBL28078439

CCCCCC.C[Si](C)(C)O[Si](C)(C)C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
SLC22A1 O15245 3/20 0.37
SLC22A2 O15244 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DNM1 Q05193 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
Heptane SCHEMBL28749900 0.97 TSHR (0.53) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL2518470 0.84 TSHR (0.47) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL7645265 0.80 ADRB2 (0.32) TSHRLMNAADRB2ADRB1ADRB3
SCHEMBL787078 0.80 TSHR (0.35) TSHRTHRBLMNAADRB2ADRB1
SCHEMBL4612835 0.80 LMNA (0.38) TSHRTHRBLMNAADRB2ADRB1
SCHEMBL728053 0.80 TSHR (0.35) TSHRTHRBLMNAADRB2ADRB1
SCHEMBL1696098 0.78 TSHR (0.40) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL945866 0.78 LMNA (0.41) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL21114738 0.78 TSHR (0.40) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL20477180 0.78 TSHR (0.40) TSHRTHRBLMNASLC22A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109181257-A A kind of preparation method of high-strength glass steel septic tank 安徽汇创新材料有限公司 2019-01-11 CN claimed
CN-117258769-A Preparation method of three-dimensional thermoplastic polymer nanofiber aerogel for protein adsorption separation and product thereof 常州纺织服装职业技术学院 2023-12-22 CN disclosed
CN-114425407-A Modification method of molecular sieve catalyst for shape-selective methylation of methylbenzene and methanol 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109181257-A A kind of preparation method of high-strength glass steel septic tank 安徽汇创新材料有限公司 2019-01-11 CN disclosed
CN-108447629-A Insulator and preparation method thereof 江苏神马电力股份有限公司 2018-08-24 CN disclosed
CN-105862432-A Preparation method of super-hydrophobic polymeric fiber 四川大学 2016-08-17 CN disclosed