⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22210868 | 1.00 | — | — | |
| SCHEMBL15113598 | 0.85 | — | — | |
| SCHEMBL22435121 | 0.82 | — | — | |
| SCHEMBL15381375 | 0.81 | — | — | |
| SCHEMBL16549318 | 0.79 | CYP19A1 (0.33) | — | |
| SCHEMBL19407060 | 0.79 | CYP19A1 (0.33) | — | |
| SCHEMBL19407087 | 0.79 | CYP19A1 (0.33) | — | |
| SCHEMBL15784784 | 0.78 | — | — | |
| SCHEMBL20722008 | 0.76 | APLNR (0.32) | — | |
| SCHEMBL22411998 | 0.76 | APLNR (0.32) | — |
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-2023078231-A1 | SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |