⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL4441685 | 0.98 | — | — | |
| SCHEMBL149252 | 0.95 | — | — | |
| SCHEMBL2679499 | 0.95 | — | — | |
| SCHEMBL15812698 | 0.95 | — | — | |
| SCHEMBL18824151 | 0.95 | — | — | |
| SCHEMBL17891967 | 0.95 | — | — | |
| SCHEMBL11706276 | 0.95 | — | — | |
| SCHEMBL2947629 | 0.95 | — | — | |
| SCHEMBL9062624 | 0.95 | — | — | |
| SCHEMBL4388739 | 0.95 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632256-A | Synthesis method of proton pump inhibitors | 河南师范大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-1100776-C | Process for preparing magnesium salt of substituted sulphinyl heterocycle | ASTRA AB (SE) | 2003-02-05 | — | — | CN | disclosed |
| CN-1216989-A | Process for preparing magnesium salt of substituted sulphinyl heterocycle | ASTRA AB (SE) | 1999-05-19 | — | — | CN | disclosed |
| EP-0724434-A1 | MULTIPLE UNIT TABLETED DOSAGE FORM CONTAINING PROTON PUMP INHIBITOR | Astra Aktiebolag (SE) | 1996-08-07 | — | — | EP | disclosed |
| WO-1996001625-A1 | MULTIPLE UNIT TABLETED DOSAGE FORM CONTAINING PROTON PUMP INHIBITOR | ASTRA AKTIEBOLAG (SE) | 1996-01-25 | — | — | WO | disclosed |