⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27719522 | 0.77 | — | — | |
| SCHEMBL28793521 | 0.70 | — | — | |
| SCHEMBL12569767 | 0.70 | — | — | |
| SCHEMBL2395030 | 0.69 | — | — | |
| SCHEMBL28675081 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28684352 | 0.65 | — | — | |
| Water SCHEMBL28159507 | 0.64 | — | — | |
| Iodide SCHEMBL28159118 | 0.64 | — | — | |
| SCHEMBL30301617 | 0.62 | — | — | |
| SCHEMBL23194565 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210299126-A1 | INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE | BRISTOL-MYERS SQUIBB COMPANY | 2021-09-30 | — | — | US | disclosed |