⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8495881 | 0.77 | RIPK1 (0.41) | — | |
| SCHEMBL256017 | 0.73 | — | — | |
| SCHEMBL10445253 | 0.73 | — | — | |
| SCHEMBL3253224 | 0.71 | — | — | |
| SCHEMBL243040 | 0.71 | — | — | |
| SCHEMBL3023589 | 0.71 | — | — | |
| SCHEMBL5280796 | 0.71 | — | — | |
| SCHEMBL956381 | 0.71 | — | — | |
| SCHEMBL5842007 | 0.71 | — | — | |
| SCHEMBL4034193 | 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-20210292300-A1 | DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-09-23 | — | — | US | disclosed |