⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14184933 | 0.76 | — | — | |
| SCHEMBL1754228 | 0.62 | HCAR2 (0.37) | — | |
| SCHEMBL1754244 | 0.61 | PDPK1 (0.35) | — | |
| SCHEMBL31234041 | 0.57 | — | — | |
| SCHEMBL1034947 | 0.57 | — | — | |
| SCHEMBL25344146 | 0.55 | TYMP (0.46) | — | |
| SCHEMBL10157463 | 0.54 | — | — | |
| SCHEMBL24690873 | 0.53 | — | — | |
| SCHEMBL5674014 | 0.52 | — | — | |
| SCHEMBL12181542 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-H09503518-A | — | — | 1997-04-08 | — | — | JP | claimed |
| EP-0722447-A1 | 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-24 | — | — | EP | claimed |
| WO-1995010520-A1 | 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-20 | — | — | WO | claimed |