Octane

Octane

SCHEMBL8554735

CCCCCCCC.F[B-](F)(F)F

nearest known ligand 0.67

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
DNM1 Q05193 7/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47
EPHX1 P07099 1/20 0.47

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
Octane SCHEMBL27624 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Undecane SCHEMBL27865572 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL28102289 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Nonane SCHEMBL27865569 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Undecane SCHEMBL28453375 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL28681950 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL27625 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL28458543 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL29415664 0.96 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL7073253 0.96 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040457-A Spiro quaternary ammonium salt electrolyte, preparation method thereof and electrolyte 容创未来(天津)新能源有限公司 2025-05-27 CN claimed
CN-118271502-A Preparation method of dormant low molecular weight amino-terminated fluorine-containing polymer 沈阳化工大学 2024-07-02 CN claimed
CN-116253606-A Preparation method of aryl difluoromethyl alkyl sulfonyl fluoride compound 上海应用技术大学 2023-06-13 CN claimed
CN-112279944-B Preparation method of high-performance carboxyl-terminated low-molecular-weight fluorine-containing polymer 沈阳化工大学 2022-10-18 CN claimed
CN-115141138-A Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2022-10-04 CN claimed
CN-113816994-B Synthesis method of (1, 1-dicyano-4-oxy) -hexyl-3-oxoindole diethyl phosphinate and derivatives thereof 南开大学 2022-05-27 CN claimed
CN-113072435-B Preparation method of 3-hydroxy-1-indanone derivative containing alkenyl fluorine 浙江工业大学 2022-04-29 CN claimed
CN-113912548-A Abelide and preparation method of intermediate thereof 浙江师范大学行知学院 2022-01-11 CN claimed
CN-113816993-A Synthesis method of beta-cyanophosphonate derivative 南开大学 2021-12-21 CN claimed
CN-113816994-A Synthesis method of (2, 2-dicyano-5-oxy) -hexyl-3-oxoindole phosphonite diethyl ester and derivatives thereof 南开大学 2021-12-21 CN claimed
CN-113698325-A Method for preparing alkyl sulfonyl fluoride 上海应用技术大学 2021-11-26 CN claimed
CN-109134316-B Fluoroalkyl sulfonyl fluoride compound and intermediate, preparation method and application thereof 中国科学院上海有机化学研究所 2021-11-02 CN claimed
CN-113072435-A Preparation method of 3-hydroxy-1-indanone derivative containing alkenyl fluorine 浙江工业大学 2021-07-06 CN claimed
CN-112279944-A Preparation method of high-performance carboxyl-terminated low-molecular-weight fluorine-containing polymer 沈阳化工大学 2021-01-29 CN claimed
CN-109134267-B Synthetic method of aromatic amine compound 北京大学 2020-11-17 CN claimed
WO-2020029428-A1 β PHASE POLYVINYLIDENE FLUORIDE-BASED PIEZO-COMPOSITE AND PREPARATION METHOD THEREFOR 苏州大学张家港工业技术研究院 2020-02-13 WO claimed
CN-108017651-B The method of 1 inhibitor of synthetic cell cycle detection point kinases 天津师范大学 2019-11-26 CN claimed
CN-109134316-A A kind of oroalkane sulfonyl fluoride compound and its intermediate, preparation method and application 中国科学院上海有机化学研究所 2019-01-04 CN claimed
CN-109134267-A A kind of synthetic method of aromatic amine compounds 北京大学 2019-01-04 CN claimed
CN-108017651-A The method of 1 inhibitor of synthetic cell cycle detection point kinases 天津师范大学 2018-05-11 CN claimed