⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18522970 | 0.88 | TLR8 (0.36) | — | |
| SCHEMBL19425807 | 0.86 | CNR2 (0.35) | — | |
| SCHEMBL23869464 | 0.83 | APLNR (0.31) | — | |
| SCHEMBL18482107 | 0.81 | APLNR (0.33) | — | |
| SCHEMBL19227425 | 0.80 | AGBL2 (0.33) | — | |
| SCHEMBL18481820 | 0.79 | NPC1 (0.36) | — | |
| SCHEMBL22460324 | 0.77 | TLR8 (0.34) | — | |
| SCHEMBL21398061 | 0.76 | CNR1 (0.31) | — | |
| SCHEMBL22541458 | 0.76 | TLR8 (0.36) | — | |
| SCHEMBL19464707 | 0.76 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11253525-B2 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-02-22 | — | — | US | disclosed |
| US-20200069695-A1 | INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE | BRISTOL MYERS SQUIBB CO (US) | 2020-03-05 | — | — | US | disclosed |