⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23844009 | 0.81 | BTN3A1 (0.34) | — | |
| SCHEMBL23843960 | 0.77 | RIPK1 (0.33) | — | |
| SCHEMBL27439514 | 0.77 | RIPK1 (0.31) | — | |
| SCHEMBL23844132 | 0.76 | — | — | |
| SCHEMBL23844091 | 0.75 | — | — | |
| SCHEMBL23844005 | 0.74 | RIPK1 (0.31) | — | |
| SCHEMBL23819057 | 0.73 | RIPK1 (0.30) | — | |
| SCHEMBL23844037 | 0.73 | RIPK1 (0.31) | — | |
| SCHEMBL27440299 | 0.72 | BTN3A1 (0.33) | — | |
| SCHEMBL25012634 | 0.71 | — | — |
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-20210292348-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. | 2021-09-23 | — | — | US | disclosed |