⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3346930 | 0.70 | — | — | |
| SCHEMBL11798103 | 0.64 | BCAT2 (0.43) | — | |
| SCHEMBL19472353 | 0.64 | ESR1 (0.40) | — | |
| SCHEMBL3056883 | 0.61 | GABRA1 (0.32) | — | |
| SCHEMBL11429496 | 0.60 | ALDH1A1 (0.48) | — | |
| SCHEMBL5610630 | 0.60 | — | — | |
| SCHEMBL20793007 | 0.60 | — | — | |
| SCHEMBL31094655 | 0.60 | — | — | |
| SCHEMBL20684565 | 0.60 | — | — | |
| SCHEMBL27875080 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019038362-A1 | ANTIBACTERIAL PYRROLOIMIDAZOLONES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-02-28 | — | — | WO | disclosed |