⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3000026 | 1.00 | — | — | |
| SCHEMBL16139611 | 1.00 | — | — | |
| SCHEMBL25336657 | 0.80 | — | — | |
| SCHEMBL14889 | 0.77 | — | — | |
| SCHEMBL14749817 | 0.77 | — | — | |
| SCHEMBL16612192 | 0.75 | — | — | |
| Charcoal, Activated SCHEMBL6386487 | 0.75 | — | — | |
| SCHEMBL28751655 | 0.73 | — | — | |
| SCHEMBL3014626 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL3014623 | 0.72 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115873000-A | Isoquinolone and quinazolinone compounds, and composition and application thereof | 中山医诺维申新药研发有限公司 | 2023-03-31 | — | — | CN | disclosed |
| US-9701631-B2 | TIP60 inhibitors | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2017-07-11 | — | — | US | disclosed |
| CN-101848905-A | Process for the enantioselective preparation of pregabalin | ESTEVE LABOR DR | 2010-09-29 | — | — | CN | disclosed |
| US-20100197939-A1 | PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |
| EP-2178855-A1 | PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010554-A1 | PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-01-22 | — | — | WO | disclosed |
| EP-2017273-A1 | Process for the enantioselective preparation of pregabalin | Laboratorios del Dr. Esteve S.A. (ES) | 2009-01-21 | — | — | EP | disclosed |