⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5609752 | 0.75 | — | — | |
| SCHEMBL1343960 | 0.72 | — | — | |
| SCHEMBL17185636 | 0.70 | — | — | |
| Bromide SCHEMBL29805193 | 0.70 | POLB (0.33) | — | |
| SCHEMBL15287051 | 0.70 | — | — | |
| SCHEMBL940620 | 0.70 | — | — | |
| SCHEMBL3954597 | 0.70 | ENPP2 (0.35) | — | |
| SCHEMBL5987972 | 0.70 | — | — | |
| SCHEMBL4980430 | 0.67 | PTK2 (0.37) | — | |
| SCHEMBL3250677 | 0.67 | ALDH1A1 (0.59) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1045379-A | — | — | None | — | — | JP | disclosed |
| EP-0298543-B1 | THIAPENTANAMIDE DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-09-29 | — | — | EP | disclosed |
| US-5153330-A | Thiapentanamide derivatives | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) | 1992-10-06 | — | — | US | disclosed |
| EP-0298543-A2 | Thiapentanamide derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-01-11 | — | — | EP | disclosed |
| EP-0099059-B1 | ANTIBACTERIAL PENEM DERIVATIVES | HOECHST UK LIMITED (GB) | 1988-06-22 | — | — | EP | disclosed |
| US-4738959-A | Antibacterial penem derivatives | HOECHST UK LIMITED (GB) | 1988-04-19 | — | — | US | disclosed |
| EP-0099059-A1 | Antibacterial penem derivatives | HOECHST UK LIMITED (GB) | 1984-01-25 | — | — | EP | disclosed |