⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10935707 | 0.91 | NR1I2 (0.31) | — | |
| SCHEMBL10939642 | 0.85 | TDP1 (0.35) | — | |
| SCHEMBL10937743 | 0.85 | TDP1 (0.32) | — | |
| SCHEMBL10935203 | 0.83 | NR1I2 (0.34) | — | |
| SCHEMBL10936869 | 0.83 | NR1I2 (0.38) | — | |
| SCHEMBL10936875 | 0.83 | NR1I2 (0.38) | — | |
| SCHEMBL10935218 | 0.82 | — | — | |
| SCHEMBL10935223 | 0.82 | — | — | |
| SCHEMBL10644370 | 0.82 | TDP1 (0.32) | — | |
| SCHEMBL10935231 | 0.81 | — | — |
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-4499088-A | BACTERICIDES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-02-12 | — | — | US | disclosed |