⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18096310 | 0.77 | — | — | |
| SCHEMBL23219106 | 0.76 | CYP17A1 (0.32) | — | |
| SCHEMBL23218046 | 0.75 | CYP17A1 (0.36) | — | |
| SCHEMBL14941563 | 0.69 | NR3C1 (0.34) | — | |
| SCHEMBL29853041 | 0.68 | CYP17A1 (0.33) | — | |
| SCHEMBL23218931 | 0.68 | CYP17A1 (0.37) | — | |
| SCHEMBL29853117 | 0.68 | CYP17A1 (0.37) | — | |
| SCHEMBL28736125 | 0.68 | CYP17A1 (0.37) | — | |
| SCHEMBL21493142 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL19019962 | 0.64 | — | — |
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-2021072198-A1 | ORAL COMPLEMENT FACTOR D INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2021-04-15 | — | — | WO | disclosed |