Butane

Butane

SCHEMBL601776

CC(=O)OOOC(C)(C)C.CCCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL94270 0.91 TSHR (0.37) ALDH1A1HSD17B10GAATSHRTDP1
Trimethylammonium SCHEMBL27633348 0.84 TSHR (0.32) ALDH1A1HSD17B10TSHRTDP1
Acetic Acid Butyl Ester SCHEMBL3967887 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL28476790 0.78 GAA (0.34) ALDH1A1HSD17B10LMNAGAA
Butane SCHEMBL17512943 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNATSHRTDP1
SCHEMBL1421409 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10LMNAGAATSHR
Hexane SCHEMBL29043759 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRTDP1
Butane SCHEMBL6520959 0.77
SCHEMBL4582605 0.76
SCHEMBL1537758 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149981-A1 COMPOSITION COMPRISING AT LEAST TWO ORGANIC PEROXIDES FOR THE POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS ARKEMA FRANCE (FR) 2023-03-22 EP claimed
CN-114478934-A Polymer polyol preparation method and system and obtained polymer polyol 中国石油化工股份有限公司 2022-05-13 CN claimed
WO-2021228858-A1 COMPOSITION COMPRISING AT LEAST TWO ORGANIC PEROXIDES FOR THE POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS ARKEMA FRANCE (FR) 2021-11-18 WO claimed
EP-1098923-B1 POLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF DOW GLOBAL TECHNOLOGIES INC (US) 2004-11-17 EP claimed
US-6455603-B1 FREE RADICAL POLYMERIZATION OF POLYOL CONTAINING A PREFORMED STABILIZER, ATLEAST ONE ETHYLENICALLY UNSATURATED MONOMER, A FREE RADICAL POLYMERIZATION INITIATOR AND A CHAIN TRANSFER AGENT DOW GLOBAL TECHNOLOGIES INC. 2002-09-24 US claimed
EP-1098923-A1 POLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF THE DOW CHEMICAL COMPANY (US) 2001-05-16 EP claimed
WO-2000000531-A1 POLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF THE DOW CHEMICAL COMPANY (US) 2000-01-06 WO claimed
EP-4396254-A1 PROCESSES FOR PRODUCING FILLED POLYOL COMPOSITIONS Covestro LLC (US) 2024-07-10 EP disclosed
EP-4396253-A1 FILLED POLYOL COMPOSITIONS THAT INCLUDE A TRIAZOLE Covestro LLC (US) 2024-07-10 EP disclosed
US-12031002-B2 Prepreg, method for producing prepreg, and molded article DIC CORPORATION (JP) 2024-07-09 US disclosed
CN-114929768-B Macromers and process for preparing polymer polyols 陶氏环球技术有限责任公司 2024-06-25 CN disclosed
US-20240199790-A1 PROCESSES AND PRODUCTION PLANTS FOR PRODUCING POLYMER POLYOLS COVESTRO LLC 2024-06-20 US disclosed
WO-2024126039-A1 METHOD FOR THE PREPARATION OF POLYMER POLYOLS REPSOL, S.A. (ES) 2024-06-20 WO disclosed
US-20040181015-A1 Method for high pressure polymerization of ethylene EQUISTAR CHEMICALS, LP 2004-09-16 US disclosed
US-6455603-B1 FREE RADICAL POLYMERIZATION OF POLYOL CONTAINING A PREFORMED STABILIZER, ATLEAST ONE ETHYLENICALLY UNSATURATED MONOMER, A FREE RADICAL POLYMERIZATION INITIATOR AND A CHAIN TRANSFER AGENT DOW GLOBAL TECHNOLOGIES INC. 2002-09-24 US disclosed
EP-1098923-A1 POLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF THE DOW CHEMICAL COMPANY (US) 2001-05-16 EP disclosed
EP-0857182-B1 POLYMER POLYOL AND PREFORMED STABILIZER SYSTEMS DOW CHEMICAL CO (US) 2000-01-19 EP disclosed
WO-2000000531-A1 POLYMER POLYOLS AND A PROCESS FOR THE PRODUCTION THEREOF THE DOW CHEMICAL COMPANY (US) 2000-01-06 WO disclosed
US-5990185-A LOW-VISCOSITY, CURABLE MIXTURE OF A POLYMER POLYOL, A STABILIZER (REACTION PRODUCT OF AN UNSATURATED SILANOL,-DI-OR TRIOL, A POLYOL AND AN UNSATURATED COMPOUND), AN UNSATUR-ATED COMPOUND, FREE RADICAL CATALYST; HIGH-LOAD POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1999-11-23 US disclosed
US-4370450-A GRAFT POLYMERI-ZATION BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed