⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3716678 | 1.00 | — | — | |
| SCHEMBL7956502 | 0.86 | — | — | |
| SCHEMBL8520623 | 0.86 | — | — | |
| SCHEMBL9206724 | 0.86 | — | — | |
| SCHEMBL2106550 | 0.84 | — | — | |
| SCHEMBL1067691 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL11126067 | 0.80 | — | — | |
| SCHEMBL3859333 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL3259081 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL11981251 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2318360-A1 | PREPARATION OF ALKOXYSULFATES | Shell Internationale Research Maatschappij B.V. (NL) | 2011-05-11 | — | — | EP | disclosed |
| EP-2236493-A1 | Preparation of alkoxysulfates | Shell Internationale Research Maatschappij B.V. (NL) | 2010-10-06 | — | — | EP | disclosed |
| WO-2010004013-A1 | PREPARATION OF ALKOXYSULFATES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2010-01-14 | — | — | WO | disclosed |
| US-20100010251-A1 | PREPARATION OF ALKOXYSULFATES | SHELL OIL COMPANY | 2010-01-14 | — | — | US | disclosed |