⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28710177 | 0.77 | GGT1 (0.33) | — | |
| SCHEMBL5072477 | 0.65 | GGT1 (0.38) | — | |
| SCHEMBL8038154 | 0.64 | GGT1 (0.37) | — | |
| SCHEMBL26452831 | 0.64 | — | — | |
| SCHEMBL11306525 | 0.64 | GGT1 (0.37) | — | |
| SCHEMBL3749598 | 0.63 | GGT1 (0.42) | — | |
| SCHEMBL7489694 | 0.62 | CYP2C9 (0.31) | — | |
| SCHEMBL24503897 | 0.61 | GGT1 (0.43) | — | |
| Ethylenediamine SCHEMBL10970096 | 0.60 | PAOX (0.30) | — | |
| Acetic Acid SCHEMBL28069700 | 0.60 | GGT1 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0700900-B1 | PROCESS FOR PRODUCING ACYLOXYBENZENESULFONIC ACID OR SALT THEREOF | KAO CORP (JP) | 1999-11-03 | — | — | EP | disclosed |
| EP-0757983-B1 | Process for the preparation of tertiary amine oxides | CLARIANT GMBH (DE) | 1999-10-13 | — | — | EP | disclosed |
| US-5710333-A | ADDING AMINE OXIDE BEFORE REACTION TO INHIBIT GELATION AND FOAMING; OXIDATION OF TERTIARY AMINE | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5606104-A | SULFONATING THE CORRESPONDING ACYLOXYBENZENE | KAO CORPORATION (JP) | 1997-02-25 | — | — | US | disclosed |
| EP-0757983-A1 | Process for the preparation of tertiary amine oxides | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-12 | — | — | EP | disclosed |
| CN-1125939-A | Process for producing acyloxybenzenesulfonic acid or salt thereof | KAO CORP (JP) | 1996-07-03 | — | — | CN | disclosed |
| EP-0700900-A1 | PROCESS FOR PRODUCING ACYLOXYBENZENESULFONIC ACID OR SALT THEREOF | Kao Corporation (JP) | 1996-03-13 | — | — | EP | disclosed |