⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4638253 | 0.74 | HRH1 (0.35) | — | |
| SCHEMBL17654278 | 0.74 | — | — | |
| SCHEMBL7151589 | 0.69 | — | — | |
| SCHEMBL6810571 | 0.68 | CHRNB2 (0.34) | — | |
| SCHEMBL10486859 | 0.64 | — | — | |
| SCHEMBL15421672 | 0.64 | MEN1 (0.30) | — | |
| SCHEMBL4722354 | 0.63 | CXCR4 (0.31) | — | |
| SCHEMBL5607383 | 0.63 | — | — | |
| SCHEMBL15415434 | 0.62 | CYP2C19 (0.30) | — | |
| SCHEMBL11401370 | 0.62 | ALOX5 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013053372-A1 | BORONIC ACID INHIBITORS OF BETA-LACTAMASES | THERABOR PHARMACEUTICALS (IT) | 2013-04-18 | — | — | WO | claimed |
| WO-2013053372-A1 | BORONIC ACID INHIBITORS OF BETA-LACTAMASES | THERABOR PHARMACEUTICALS (IT) | 2013-04-18 | — | — | WO | disclosed |
| US-5744486-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1998-04-28 | — | — | US | disclosed |