Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| SCHEMBL3058705 | 0.92 | — | — | |
| SCHEMBL3047153 | 0.90 | BCHE (0.30) | — | |
| Iodide SCHEMBL3049130 | 0.80 | PHGDH (0.33) | — | |
| SCHEMBL3050175 | 0.79 | RECQL (0.36) | — | |
| SCHEMBL3052233 | 0.77 | RECQL (0.41) | — | |
| SCHEMBL3057042 | 0.74 | — | — | |
| Iodide SCHEMBL3047689 | 0.70 | PHGDH (0.32) | — | |
| SCHEMBL3054576 | 0.70 | RECQL (0.39) | — | |
| Iodide SCHEMBL3259459 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL3057036 | 0.69 | RECQL (0.30) | — |
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 4 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 | 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 |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |