Octane

Octane

SCHEMBL569265

CCCCCCCC.O=S(=O)(Cl)Cl

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.57
FAAH O00519 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CA2 P00918 10/20 0.46
CA1 P00915 8/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
PPARA Q07869 2/20 0.46

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 SCHEMBL5040464 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Pentadecane SCHEMBL28155224 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Nonane SCHEMBL6130063 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Tridecane SCHEMBL11411803 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL11411799 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Dodecane SCHEMBL5440620 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Hexadecane SCHEMBL2406023 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL9501386 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL5040348 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Hexane SCHEMBL1937959 0.96 TSHR (0.50) TSHRTHRBFAAHALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118833938-A Solid slow-release scale inhibitor and preparation method thereof 宝武精高(安徽)科技有限公司 2024-10-25 CN claimed
CN-118388763-A Polymer, mRNA nanoparticles and uses thereof 厦门大学 2024-07-26 CN claimed
CN-111187193-B Preparation method of rubber additive 1, 6-di (N, N-dibenzylcarbamyl disulfide) hexane 山东阳谷华泰化工股份有限公司 2022-04-15 CN claimed
CN-111187193-A Preparation method of rubber additive 1, 6-di (N, N-dibenzylcarbamyl disulfide) hexane 山东阳谷华泰化工股份有限公司 2020-05-22 CN claimed
CN-1268609-C Method for making alkanesulphonyl chlorides ATOFINA (FR) 2006-08-09 CN claimed
EP-1299402-A4 PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES CHEVRON PHILLIPS CHEMICAL CO (US) 2005-09-28 EP claimed
CN-1474807-A Process for the manufacture of alkanesulphonyl chlorides ���з��ɹ�˾ 2004-02-11 CN claimed
EP-1299402-A1 PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES Philips Petroleum Company (US) 2003-04-09 EP claimed
WO-2002000671-A1 PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES PHILIPS PETROLEUM COMPANY (US) 2002-01-03 WO claimed
EP-0322494-B1 A METHOD FOR THE TREATMENT OF DINITROANILINES TO REDUCE THEIR NITROSAMINE CONTENT AND/OR TO STABILISE THEM AGAINST THE FORMATION OF NITROSAMINES FINCHIMICA S.p.A. (IT) 1993-04-07 EP claimed
EP-0322494-A1 A method for the treatment of dinitroanilines to reduce their nitrosamine content and/or to stabilise them against the formation of nitrosamines FINCHIMICA S.p.A. (IT) 1989-07-05 EP claimed
CN-118833938-A Solid slow-release scale inhibitor and preparation method thereof 宝武精高(安徽)科技有限公司 2024-10-25 CN disclosed
CN-118352513-B Glass-state MOFs coated positive electrode material, preparation method thereof and secondary battery 江苏蓝固新能源科技有限公司 2024-09-17 CN disclosed
CN-118388763-A Polymer, mRNA nanoparticles and uses thereof 厦门大学 2024-07-26 CN disclosed
CN-118352513-A Glass-state MOFs coated positive electrode material, preparation method thereof and secondary battery 江苏蓝固新能源科技有限公司 2024-07-16 CN disclosed
EP-0805159-A1 Phosphorus containing alkyl or arylsulphonyl derivatives and method for preparing same Cytec Canada Inc. (CA) 1997-11-05 EP disclosed
CN-1139433-A Pyrazole derivatives and herbicides produced using the same IDEMITSU KOSAN CO (JP) 1997-01-01 CN disclosed
US-4977073-A Color reprocibility KONICA CORPORATION (JP) 1990-12-11 US disclosed
EP-0322904-A2 Silver halide light-sensitive color photographic material KONICA CORPORATION (JP) 1989-07-05 EP disclosed
US-4683090-A Purification of organosulfonyl halides PENNWALT CORPORATION (US) 1987-07-28 US disclosed