Octane

Octane

SCHEMBL9146243

CCCCC1CCC1.CCCCCCCC

nearest known ligand 0.76

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
SIGMAR1 Q99720 3/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX1 P07099 3/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LSS P48449 2/20 0.40
MAPT P10636 1/20 0.39
GNAO1 P09471 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38

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
SCHEMBL9206264 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL9213811 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL5408542 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL25395178 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL9202670 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL25395501 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL627037 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL9202673 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL9118164 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL28183921 0.95 CYP1A2 (0.68) CYP1A2SIGMAR1HTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115380017-B Process for preparing deuterated compounds 株式会社LG化学 2024-06-18 CN disclosed
CN-117957114-A Multilayer film, optical multilayer film, and method for producing same 日本瑞翁株式会社 2024-04-30 CN disclosed
CN-113948780-B Nonaqueous electrolyte secondary battery 丰田自动车株式会社 2024-04-26 CN disclosed
CN-113948829-B Nonaqueous electrolyte secondary battery 丰田自动车株式会社 2024-03-29 CN disclosed
CN-117637987-A Electrode for lithium sulfur battery 庄信万丰股份有限公司 2024-03-01 CN disclosed
CN-117603025-A Process for preparing alpha, beta unsaturated aldehydes by oxidizing alcohols in the presence of a liquid phase 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-110418779-B Process for preparing alpha, beta unsaturated aldehydes by oxidizing alcohols in the presence of a liquid phase 巴斯夫欧洲公司 2023-12-15 CN disclosed
CN-111263992-B Paste composition, electrode material for secondary battery, electrode for secondary battery, and secondary battery 杰富意化学株式会社 2023-06-16 CN disclosed
CN-111481551-B Tumor selective combination therapy 伊利诺伊大学董事会 2023-06-09 CN disclosed
EP-0668259-A1 A method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1995-08-23 EP disclosed
US-5434302-A Method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom PARADIES H HENRICH (DE) 1995-07-18 US disclosed