⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2748053 | 0.61 | — | — | |
| SCHEMBL6374695 | 0.57 | — | — | |
| SCHEMBL27150066 | 0.57 | TGFBR1 (0.40) | — | |
| SCHEMBL24773677 | 0.55 | — | — | |
| SCHEMBL1612148 | 0.55 | — | — | |
| SCHEMBL2101758 | 0.54 | — | — | |
| SCHEMBL50016 | 0.53 | — | — | |
| SCHEMBL1252958 | 0.53 | — | — | |
| SCHEMBL3678244 | 0.52 | — | — | |
| SCHEMBL3678247 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473449-A | Sulfonamidine as indoleamine-2, 3-dioxygenase inhibitor and preparation method and application thereof | 上海长森药业有限公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108218807-A | A kind of sulfone amidine as indoles amine -2,3- dioxygenase inhibitors and its preparation method and application | 上海长森药业有限公司 | 2018-06-29 | — | — | CN | disclosed |