⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10085132 | 0.95 | ABCC2 (0.47) | — | |
| SCHEMBL400484 | 0.93 | — | — | |
| SCHEMBL401145 | 0.92 | — | — | |
| SCHEMBL10086020 | 0.90 | ABCC2 (0.47) | — | |
| SCHEMBL405259 | 0.90 | — | — | |
| SCHEMBL405571 | 0.89 | ABCC2 (0.53) | — | |
| SCHEMBL403311 | 0.87 | — | — | |
| SCHEMBL510193 | 0.87 | — | — | |
| SCHEMBL405391 | 0.86 | — | — | |
| SCHEMBL404590 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120022107-A1 | 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2012-01-26 | — | — | US | disclosed |
| US-20120022107-A1 | 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2012-01-26 | — | — | US | disclosed |