⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27493381 | 0.86 | — | — | |
| SCHEMBL28437375 | 0.86 | — | — | |
| SCHEMBL27578961 | 0.83 | — | — | |
| SCHEMBL3203996 | 0.56 | — | — | |
| SCHEMBL2431350 | 0.56 | — | — | |
| SCHEMBL131612 | 0.56 | — | — | |
| SCHEMBL26986703 | 0.50 | PHGDH (0.39) | — | |
| SCHEMBL8995158 | 0.50 | — | — | |
| SCHEMBL9668278 | 0.50 | — | — | |
| SCHEMBL6359505 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111386114-A | Novel benzimidazoles as selective inhibitors of indoleamine 2, 3-dioxygenase | 百济神州有限公司 | 2020-07-07 | — | — | CN | disclosed |