⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17914495 | 0.78 | — | — | |
| SCHEMBL19333286 | 0.71 | — | — | |
| SCHEMBL16549285 | 0.69 | PIK3CD (0.43) | — | |
| SCHEMBL19333378 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL18125222 | 0.69 | — | — | |
| SCHEMBL12354616 | 0.69 | — | — | |
| SCHEMBL83547 | 0.69 | — | — | |
| SCHEMBL22336141 | 0.66 | — | — | |
| SCHEMBL19333386 | 0.66 | OPRM1 (0.41) | — | |
| SCHEMBL19112826 | 0.65 | FDPS (0.36) | — |
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-9758492-B2 | IDO inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |