⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9027011 | 0.85 | SIGMAR1 (0.30) | — | |
| SCHEMBL8833005 | 0.81 | SIGMAR1 (0.35) | — | |
| SCHEMBL9026729 | 0.80 | — | — | |
| SCHEMBL9028060 | 0.77 | — | — | |
| SCHEMBL9028064 | 0.77 | — | — | |
| SCHEMBL8833108 | 0.77 | CETP (0.33) | — | |
| SCHEMBL5492456 | 0.76 | SIGMAR1 (0.31) | — | |
| SCHEMBL5492451 | 0.76 | SIGMAR1 (0.31) | — | |
| SCHEMBL9027494 | 0.76 | — | — | |
| SCHEMBL9026213 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0722447-A1 | 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995010520-A1 | 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-20 | — | — | WO | disclosed |