⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1712693 | 1.00 | — | — | |
| SCHEMBL24615140 | 1.00 | — | — | |
| SCHEMBL20281923 | 0.89 | ADH1B (0.33) | — | |
| SCHEMBL2389051 | 0.86 | CTSL (0.33) | — | |
| SCHEMBL13030251 | 0.81 | — | — | |
| SCHEMBL21936191 | 0.78 | — | — | |
| SCHEMBL31679143 | 0.78 | CTSL (0.38) | — | |
| SCHEMBL1306525 | 0.78 | CTSL (0.38) | — | |
| SCHEMBL24501917 | 0.78 | CTSL (0.38) | — | |
| SCHEMBL3953970 | 0.76 | CA1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 科尔沃斯制药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |
| US-10626103-B2 | Inhibitor of lysine specific demethylase-1 | CELGENE QUANTICEL RESEARCH, INC. (US) | 2020-04-21 | — | — | US | disclosed |
| US-20190194161-A1 | INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 | CELGENE QUANTICEL RESEARCH, INC. (US) | 2019-06-27 | — | — | US | disclosed |