⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9822247 | 0.79 | — | — | |
| SCHEMBL9821943 | 0.69 | PDE10A (0.35) | — | |
| SCHEMBL9822315 | 0.66 | PDE10A (0.38) | — | |
| SCHEMBL9822129 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL9821993 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL23554293 | 0.58 | TBXAS1 (0.35) | — | |
| SCHEMBL9679573 | 0.58 | — | — | |
| SCHEMBL23651542 | 0.55 | PTGS2 (0.34) | — | |
| SCHEMBL25414764 | 0.53 | PTGS2 (0.33) | — | |
| SCHEMBL25414716 | 0.51 | GGPS1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4987129-A | BACTERICIDES | SANKEI PHARMACEUTICAL CO., LTD. (JP) | 1991-01-22 | — | — | US | disclosed |
| US-4958019-A | Intermediates for synthesis of cephalosporin compounds | SANKEI PHARMACEUTICAL CO., LTD. (JP) | 1990-09-18 | — | — | US | disclosed |
| US-4956462-A | Bactericides, ANTIBIOTICS, CEPHALOSPORINS | SANKEI PHARMACEUTICAL CO., LTD. (JP) | 1990-09-11 | — | — | US | disclosed |
| EP-0302633-A2 | Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same | SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) | 1989-02-08 | — | — | EP | disclosed |