⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9314727 | 0.88 | CASP1 (0.33) | — | |
| SCHEMBL9313356 | 0.87 | — | — | |
| SCHEMBL9315529 | 0.80 | — | — | |
| SCHEMBL9313393 | 0.80 | — | — | |
| SCHEMBL9670030 | 0.77 | CASP1 (0.30) | — | |
| SCHEMBL9313354 | 0.75 | — | — | |
| SCHEMBL9315470 | 0.74 | — | — | |
| SCHEMBL9313401 | 0.72 | TDP1 (0.35) | — | |
| SCHEMBL9314222 | 0.71 | CASP1 (0.33) | — | |
| SCHEMBL9313362 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5286721-A | Antimicrobial agents | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-02-15 | — | — | US | disclosed |
| WO-1992006978-A1 | 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-04-30 | — | — | WO | disclosed |