⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27804290 | 0.74 | GMNN (0.31) | — | |
| SCHEMBL28290971 | 0.71 | — | — | |
| SCHEMBL27804289 | 0.71 | — | — | |
| SCHEMBL27817358 | 0.68 | — | — | |
| SCHEMBL13698594 | 0.68 | GMNN (0.30) | — | |
| SCHEMBL295379 | 0.67 | — | — | |
| SCHEMBL874112 | 0.67 | — | — | |
| SCHEMBL27825114 | 0.67 | — | — | |
| SCHEMBL28907131 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL30082332 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114315806-B | Preparation method of ester catechin-theanine adduct | 安徽农业大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-1543592-A | Sulfoxide pyrolid(in)one alkanolamine cleaner composition | EKC������˾ | 2004-11-03 | — | — | CN | disclosed |
| EP-0429726-A1 | Process for 2-(aminoalkylthio)carbapenems | MERCK & CO. INC. (US) | 1991-06-05 | — | — | EP | disclosed |
| US-4894450-A | FORMING AN ENOL PHOSPHATE INTERMEDIATE | MERCK & CO., INC. (US) | 1990-01-16 | — | — | US | disclosed |