⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23818912 | 0.94 | BTN3A1 (0.30) | — | |
| SCHEMBL23819100 | 0.91 | — | — | |
| SCHEMBL26335979 | 0.90 | BTN3A1 (0.30) | — | |
| SCHEMBL23819295 | 0.90 | BTN3A1 (0.30) | — | |
| SCHEMBL23819050 | 0.85 | RIPK1 (0.32) | — | |
| SCHEMBL23819313 | 0.84 | BTN3A1 (0.34) | — | |
| SCHEMBL26333931 | 0.84 | RIPK1 (0.32) | — | |
| SCHEMBL23819085 | 0.84 | BTN3A1 (0.33) | — | |
| SCHEMBL23819243 | 0.84 | BTN3A1 (0.31) | — | |
| SCHEMBL26335968 | 0.84 | BTN3A1 (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-20210284670-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. | 2021-09-16 | — | — | US | disclosed |