⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10935223 | 1.00 | — | — | |
| SCHEMBL10935231 | 0.88 | — | — | |
| SCHEMBL10936869 | 0.83 | NR1I2 (0.38) | — | |
| SCHEMBL10936875 | 0.83 | NR1I2 (0.38) | — | |
| SCHEMBL10938396 | 0.82 | — | — | |
| SCHEMBL10939606 | 0.80 | — | — | |
| SCHEMBL10939603 | 0.80 | — | — | |
| SCHEMBL10935690 | 0.78 | NR1I2 (0.46) | — | |
| SCHEMBL10935698 | 0.78 | NR1I2 (0.46) | — | |
| SCHEMBL10935707 | 0.77 | NR1I2 (0.31) | — |
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 |