Pentane

Pentane

SCHEMBL4992602

CCCCC.O=S(=O)(Cl)Cl

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
LMNA P02545 2/20 0.54
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 2/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 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 SCHEMBL1937959 0.92 TSHR (0.50) TSHRLMNACA1CA2CA12
Decane SCHEMBL9501386 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Decane SCHEMBL5040348 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Nonane SCHEMBL6130063 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Decane SCHEMBL11411799 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Hexadecane SCHEMBL2406023 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Octane SCHEMBL569265 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Dodecane SCHEMBL5440620 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Tridecane SCHEMBL11411803 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7
Pentadecane SCHEMBL28155224 0.89 TSHR (0.57) TSHRCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912663-A Epoxy resin curing agent for corrosion prevention of stripping tower and preparation method thereof 江苏三木化工股份有限公司 2025-05-02 CN claimed
CN-119912662-A Epoxy resin curing agent for insulating castable and preparation method thereof 江苏三木化工股份有限公司 2025-05-02 CN claimed
CN-112903886-B Separation and detection method of 1-butylsulfonyl chloride related substances 四川科伦药物研究院有限公司 2024-05-24 CN claimed
CN-115975124-A Hyperbranched polyether monomer, hyperbranched EPEG type polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2023-04-18 CN claimed
US-4088658-A REACTING HYDROXY COMPOUND WITH A SULFONYL CHLORIDE TO FORM SULFONATE, HYDROGENOLYSIS IMC CHEMICAL GROUP, INC. (US) 1978-05-09 US claimed
CN-119912663-A Epoxy resin curing agent for corrosion prevention of stripping tower and preparation method thereof 江苏三木化工股份有限公司 2025-05-02 CN disclosed
CN-119912662-A Epoxy resin curing agent for insulating castable and preparation method thereof 江苏三木化工股份有限公司 2025-05-02 CN disclosed
CN-112903886-B Separation and detection method of 1-butylsulfonyl chloride related substances 四川科伦药物研究院有限公司 2024-05-24 CN disclosed
CN-115975124-A Hyperbranched polyether monomer, hyperbranched EPEG type polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2023-04-18 CN disclosed
CN-104884451-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-09-02 CN disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20070275327-A1 PHOTOSENSITIVE RESIN COMPOSITION, RESIST PATTERN FORMING METHOD, SUBSTRATE PROCESSING METHOD, AND DEVICE MANUFACTURING METHOD CANON KABUSHIKI KAISHA (JP) 2007-11-29 US disclosed
EP-0969840-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-01-12 EP disclosed
CN-1219172-A Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 1999-06-09 CN disclosed
WO-1998042342-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-10-01 WO disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 WO disclosed
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
CN-1031376-A Pyrazolopyridine compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1989-03-01 CN disclosed