⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9567064 | 0.88 | POLB (0.30) | — | |
| SCHEMBL9567187 | 0.82 | — | — | |
| SCHEMBL9567175 | 0.81 | MMP2 (0.33) | — | |
| SCHEMBL9596289 | 0.81 | MMP2 (0.33) | — | |
| SCHEMBL9567069 | 0.81 | CYP19A1 (0.31) | — | |
| SCHEMBL9596180 | 0.81 | CYP19A1 (0.31) | — | |
| SCHEMBL9567087 | 0.76 | CHRM1 (0.32) | — | |
| SCHEMBL8011538 | 0.75 | CYP19A1 (0.33) | — | |
| SCHEMBL8865106 | 0.75 | CYP19A1 (0.33) | — | |
| SCHEMBL10518904 | 0.72 | CYP19A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993001192-A1 | 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-01-21 | — | — | WO | disclosed |
| EP-0522504-A1 | 2-(2-substituted pyrrolidinylthio)-carbapenem derivatives | Banyu Pharmaceutical Co., Ltd. (JP) | 1993-01-13 | — | — | EP | disclosed |