⚠ 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 | 0.93 | — | — | |
| SCHEMBL27578961 | 0.90 | — | — | |
| SCHEMBL28446565 | 0.86 | — | — | |
| SCHEMBL28183545 | 0.73 | FYN (0.31) | — | |
| SCHEMBL28183603 | 0.73 | FYN (0.31) | — | |
| SCHEMBL29264397 | 0.71 | — | — | |
| SCHEMBL738040 | 0.69 | — | — | |
| SCHEMBL739019 | 0.67 | L3MBTL3 (0.33) | — | |
| SCHEMBL738404 | 0.67 | L3MBTL3 (0.33) | — | |
| SCHEMBL738310 | 0.67 | L3MBTL3 (0.33) | — |
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 |