⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937143 | 0.73 | — | — | |
| SCHEMBL1937188 | 0.73 | — | — | |
| SCHEMBL44747 | 0.73 | — | — | |
| SCHEMBL1826180 | 0.69 | — | — | |
| SCHEMBL7230822 | 0.69 | — | — | |
| SCHEMBL545707 | 0.68 | — | — | |
| SCHEMBL844526 | 0.62 | — | — | |
| SCHEMBL12808170 | 0.62 | — | — | |
| SCHEMBL1936408 | 0.61 | — | — | |
| SCHEMBL1936575 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991014687-A1 | 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1991-10-03 | — | — | WO | claimed |
| WO-1991014687-A1 | 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1991-10-03 | — | — | WO | disclosed |
| US-4629495-A | Herbicidal 5-amino-4-cyano-1-phenylpyrazoles | MAY & BAKER LIMITED (GB) | 1986-12-16 | — | — | US | disclosed |