⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28218983 | 0.63 | — | — | |
| SCHEMBL27557509 | 0.62 | — | — | |
| SCHEMBL28300076 | 0.61 | CA2 (0.42) | — | |
| SCHEMBL3751577 | 0.61 | — | — | |
| SCHEMBL12641989 | 0.61 | — | — | |
| SCHEMBL30499009 | 0.59 | — | — | |
| SCHEMBL13183720 | 0.57 | NPC1 (0.31) | — | |
| SCHEMBL27841484 | 0.54 | GFER (0.52) | — | |
| SCHEMBL277059 | 0.52 | — | — | |
| SCHEMBL13752371 | 0.51 | — | — |
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-109897011-A | A kind of IDO inhibitor and its application | 上海华汇拓医药科技有限公司 | 2019-06-18 | — | — | CN | disclosed |