⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6076768 | 0.90 | PTGER1 (0.33) | — | |
| SCHEMBL6077970 | 0.86 | KMT2A (0.36) | — | |
| SCHEMBL6079201 | 0.74 | — | — | |
| SCHEMBL6077012 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL27468819 | 0.69 | BAZ2B (0.33) | — | |
| SCHEMBL9038571 | 0.68 | CNR2 (0.35) | — | |
| SCHEMBL3737737 | 0.68 | — | — | |
| SCHEMBL17324806 | 0.63 | NPC1 (0.56) | — | |
| SCHEMBL3735181 | 0.62 | — | — | |
| SCHEMBL6076784 | 0.61 | APAF1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7045619-B2 | 2-(pyrazol-3-yl)carbapenem derivatives | SMITHKLINE BEECHAM P.L.C. (GB) | 2006-05-16 | — | — | US | disclosed |
| US-20030166923-A1 | 2-(pyrazol-3-yl)carbapenem derivatives | SMITHKLINE BEECHAM P.L.C. | 2003-09-04 | — | — | US | disclosed |
| EP-0725783-B1 | 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2002-12-18 | — | — | EP | disclosed |
| US-20020147333-A1 | 2-(pyrazol-3-yl)carbapenem derivatives | SMITHKLINE BEECHAM P.L.C. | 2002-10-10 | — | — | US | disclosed |
| US-5612477-A | 2-(pyrazol-3-yl)carbapenem derivatives | SMITHKLINE BEECHAM P.L.C | 1997-03-18 | — | — | US | disclosed |
| US-5606051-A | 2-(pyrazol-3-yl)carbapenem derivatives | SMITHKLINE BEECHAM P.L.C. (GB) | 1997-02-25 | — | — | US | disclosed |