⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20660098 | 0.79 | — | — | |
| SCHEMBL690784 | 0.67 | — | — | |
| SCHEMBL18101851 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL22766130 | 0.65 | KDM4E (0.50) | — | |
| SCHEMBL16138534 | 0.65 | — | — | |
| SCHEMBL64863 | 0.65 | — | — | |
| SCHEMBL4944184 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3583266 | 0.63 | — | — | |
| SCHEMBL889022 | 0.63 | — | — | |
| SCHEMBL1683193 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210032265-A1 | COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-02-04 | — | — | US | disclosed |
| CN-1341590-A | Proteinase inhibitor | SMITHKLINE BEECHEM CORP (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1341593-A | Proteinase inhibitor | SMITHKLINE BEECHEM CORP (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1341592-A | Proteinase inhibitor | SMITHKLINE BEECHEM CORP (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1207095-A | Protease inhibitors | SMITHKLINE BEECHAM CORP (US) | 1999-02-03 | — | — | CN | disclosed |