⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19087070 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL14392136 | 0.79 | OPRD1 (0.32) | — | |
| SCHEMBL16349800 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL23397852 | 0.73 | — | — | |
| SCHEMBL5702391 | 0.69 | CHRNB2 (0.31) | — | |
| SCHEMBL25122809 | 0.68 | LMNA (0.36) | — | |
| SCHEMBL5949002 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL27348075 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL13257086 | 0.66 | — | — | |
| SCHEMBL14161804 | 0.66 | — | — |
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-2018026620-A1 | DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-08 | — | — | WO | disclosed |