Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butane SCHEMBL7426975 | 0.93 | — | — | |
| Butane SCHEMBL3181484 | 0.93 | — | — | |
| Butane SCHEMBL2512712 | 0.93 | SLC22A1 (0.46) | — | |
| Butane SCHEMBL2191959 | 0.93 | — | — | |
| Butane SCHEMBL8359881 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL28203850 | 0.93 | — | — | |
| Butane SCHEMBL7183263 | 0.93 | SLC22A1 (0.46) | — | |
| Butane SCHEMBL869473 | 0.86 | — | — | |
| Butane SCHEMBL2867244 | 0.86 | — | — | |
| Butane SCHEMBL2860854 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1964860-A1 | ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER | Tosoh Corporation (JP) | 2008-09-03 | — | — | EP | disclosed |