Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 SCHEMBL22491 | 0.87 | — | — | |
| Butane SCHEMBL1224843 | 0.87 | — | — | |
| Butane SCHEMBL5859491 | 0.87 | TSHR (0.44) | — | |
| Butane SCHEMBL421381 | 0.87 | — | — | |
| Butane SCHEMBL30942544 | 0.87 | — | — | |
| Butane SCHEMBL5699183 | 0.80 | — | — | |
| Butane SCHEMBL20917800 | 0.80 | — | — | |
| Butane SCHEMBL3787272 | 0.80 | — | — | |
| Butane SCHEMBL22773725 | 0.80 | — | — | |
| Butane SCHEMBL22408826 | 0.80 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8795529-B2 | Disposable monolithic column | DIONEX CORPORATION (US) | 2014-08-05 | — | — | US | disclosed |
| EP-2664366-A2 | Separation system, components of a separation system and methods of making and using them | Dionex Corporation (US) | 2013-11-20 | — | — | EP | disclosed |
| US-7922908-B2 | Separation system, components of a separation system and methods of making and using them | DIONEX CORPORATION (US) | 2011-04-12 | — | — | US | disclosed |
| US-7922909-B2 | Separation system, components of a separation system and methods of making and using them | DIONEX CORPORATION (US) | 2011-04-12 | — | — | US | disclosed |
| US-20090184039-A1 | MONOLITHIC COLUMN | DIONEX CORPORATION (US) | 2009-07-23 | — | — | US | disclosed |
| EP-1789157-A4 | SEPARATION SYSTEM, COMPONENTS OF A SEPARATION SYSTEM AND METHODS OF MAKING AND USING THEM | DIONEX CORP (US) | 2009-05-27 | — | — | EP | disclosed |
| US-7473367-B2 | Monolithic column | DIONEX CORPORATION (US) | 2009-01-06 | — | — | US | disclosed |
| US-20080185327-A1 | Disposable monolithic column | DIONEX CORPORATION (US) | 2008-08-07 | — | — | US | disclosed |
| US-20080179773-A1 | Separation system, components of a separation system and methods of making and using them | DIONEX CORPORATION (US) | 2008-07-31 | — | — | US | disclosed |
| EP-1789157-A2 | SEPARATION SYSTEM, COMPONENTS OF A SEPARATION SYSTEM AND METHODS OF MAKING AND USING THEM | DIONEX CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| US-20060207939-A1 | Novel separating system having synergistic relationships with a polymer having separation-effective openings; polymerizable mixture is placed in a container with a porogen or solvent and polymerized to form a plug having separation-effective openings for use in separation system | DIONEX CORPORATION | 2006-09-21 | — | — | US | disclosed |
| US-7074331-B2 | Separation system, components of a separation system and methods of making and using them | DIONEX CORPORATION (US) | 2006-07-11 | — | — | US | disclosed |
| WO-2006017620-A2 | SEPARATION SYSTEM, COMPONENTS OF A SEPARATION SYSTEM AND METHODS OF MAKING AND USING THEM | DIONEX CORPORATION (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20050274662-A1 | Disposable monolithic column | TELEDYNE ISCO, INC. (US) | 2005-12-15 | — | — | US | disclosed |
| US-20050061745-A1 | Separation system, components of a separation system and methods of making and using them | TELEDYNE ISCO, INC. (US) | 2005-03-24 | — | — | US | disclosed |
| US-6749749-B2 | Separation system, components of a separation system and methods of making and using them | ISCO, INC. | 2004-06-15 | — | — | US | disclosed |
| US-20040020855-A1 | Chromatographic column | ISCO, INC. (US) | 2004-02-05 | — | — | US | disclosed |
| US-20040000522-A1 | Separation system, components of a separation system and methods of making and using them | ISCO, INC. | 2004-01-01 | — | — | US | disclosed |