⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9347230 | 0.80 | — | — | |
| SCHEMBL5207671 | 0.80 | HTR2A (0.36) | — | |
| SCHEMBL2745021 | 0.79 | LTA4H (0.38) | — | |
| SCHEMBL7791563 | 0.79 | CA2 (0.38) | — | |
| SCHEMBL7852731 | 0.77 | ATM (0.31) | — | |
| SCHEMBL304399 | 0.77 | TYR (0.40) | — | |
| SCHEMBL7852724 | 0.77 | — | — | |
| SCHEMBL9342327 | 0.76 | L3MBTL1 (0.41) | — | |
| SCHEMBL1179209 | 0.74 | CA2 (0.42) | — | |
| SCHEMBL8149465 | 0.73 | ADRB1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0574784-B1 | Process for preparing (1'R,3S,4R)4-acylthio azetidinones | PHARMACIA & UPJOHN SPA (IT) | 2001-12-05 | — | — | EP | disclosed |
| US-5399679-A | (1'R,3S,4R)4-acylthio azetidinones | FARMITALIA CARLO ERBA S.R.L. (IT) | 1995-03-21 | — | — | US | disclosed |
| WO-1993025523-A1 | 4-ACYLTHIO AZETIDINONES | FARMITALIA CARLO ERBA S.R.L. (IT) | 1993-12-23 | — | — | WO | disclosed |
| EP-0574784-A1 | (1'R,3S,4R)4-acylthio azetidinones | PHARMACIA S.p.A. (IT) | 1993-12-22 | — | — | EP | disclosed |