Butane

Butane

SCHEMBL2867244

Br.CCCC.S

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Butane SCHEMBL2979230 0.93
Butane SCHEMBL27543855 0.93
Butane SCHEMBL7183263 0.93 SLC22A1 (0.46)
Butane SCHEMBL5129860 0.93 TSHR (0.44)
Butane SCHEMBL8463912 0.93
Butane SCHEMBL2512712 0.93 SLC22A1 (0.46)
Butane SCHEMBL8412888 0.93 TSHR (0.44)
Butane SCHEMBL2191959 0.93
Butane SCHEMBL9442188 0.93
Butane SCHEMBL23567204 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964860-B1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER TOSOH CORP (JP) 2017-07-05 EP disclosed
US-8841396-B2 Ethylene-α-olefin copolymer and molded article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-23 US disclosed
US-20130324691-A1 Ethylene-a-Olefin Copolymer and Article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-05 US disclosed
CN-103391950-A Ethylene-alfa-olefin copolymer and molded article SUMITOMO CHEMICAL CO 2013-11-13 CN disclosed
US-20130005930-A1 ETHYLENE-alpha-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
CN-101341176-B Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP 2011-08-17 CN disclosed
US-7838611-B2 Ethylene polymer, catalyst for ethylene polymer production, and method for producing ethylene polymer TOSOH CORPORATION (JP) 2010-11-23 US disclosed
US-20090137755-A1 ETHYLENE POLYMER, CATALYST FOR ETHYLENE POLYMER PRODUCTION, AND METHOD FOR PRODUCING ETHYLENE POLYMER TOSOH CORPORATION (JP) 2009-05-28 US disclosed
CN-101341176-A Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP (JP) 2009-01-07 CN disclosed