⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30763502 | 0.77 | PTGS2 (0.31) | — | |
| SCHEMBL21611947 | 0.76 | PPARD (0.40) | — | |
| SCHEMBL21614652 | 0.73 | CYP2C19 (0.41) | — | |
| SCHEMBL21611950 | 0.70 | EPHX2 (0.36) | — | |
| SCHEMBL21611939 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL21611937 | 0.66 | LOXL2 (0.38) | — | |
| SCHEMBL21611936 | 0.64 | BACE1 (0.41) | — | |
| SCHEMBL21612006 | 0.64 | GAA (0.44) | — | |
| SCHEMBL20583311 | 0.61 | CDK2 (0.33) | — | |
| SCHEMBL18923095 | 0.58 | CA2 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11883387-B2 | PqsR inverse agonists | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2024-01-30 | — | — | US | disclosed |
| US-20210353606-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-11-18 | — | — | US | disclosed |
| EP-3818045-A1 | PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-05-12 | — | — | EP | disclosed |
| WO-2020007938-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-01-09 | — | — | WO | disclosed |