⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2059573 | 0.84 | CA2 (0.30) | — | |
| SCHEMBL17456466 | 0.77 | CA2 (0.30) | — | |
| SCHEMBL17456477 | 0.77 | CA2 (0.30) | — | |
| SCHEMBL29656 | 0.77 | CA2 (0.39) | — | |
| SCHEMBL3155468 | 0.74 | CA1 (0.46) | — | |
| SCHEMBL20526044 | 0.74 | CA2 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL4653036 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL11124284 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL2059582 | 0.71 | — | — | |
| SCHEMBL7105867 | 0.71 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | MERCK PATENT GMBH (DE) | 2010-09-02 | — | — | US | claimed |
| EP-1828142-B1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-06-02 | — | — | EP | claimed |
| JP-2008523119-A | — | — | 2008-07-03 | — | — | JP | claimed |
| EP-1828142-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-05 | — | — | EP | claimed |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | claimed |
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | MERCK PATENT GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | MERCK PATENT GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| EP-1828142-B1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-06-02 | — | — | EP | disclosed |
| EP-1828142-B1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-06-02 | — | — | EP | disclosed |
| EP-1828142-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| EP-1828142-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |