⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9732020 | 1.00 | — | — | |
| SCHEMBL9786420 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL9786417 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL9786407 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL9731567 | 0.83 | ABCB1 (0.31) | — | |
| SCHEMBL9786406 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL9731561 | 0.83 | ABCB1 (0.31) | — | |
| SCHEMBL9731529 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL9731526 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL9686979 | 0.80 | BCHE (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5157042-A | 3-OXA-5-FLUORO-CARBACYCLINS, THEIR PREPARATION AND USE AS MEDICINAL AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-10-20 | — | — | US | disclosed |