⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21180835 | 0.69 | — | — | |
| SCHEMBL24343973 | 0.68 | — | — | |
| SCHEMBL26013279 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL21914549 | 0.64 | — | — | |
| SCHEMBL25143555 | 0.62 | — | — | |
| SCHEMBL9130123 | 0.61 | — | — | |
| SCHEMBL22340594 | 0.60 | NOS2 (0.43) | — | |
| SCHEMBL23506028 | 0.60 | NOS2 (0.33) | — | |
| SCHEMBL8166237 | 0.59 | — | — | |
| SCHEMBL23502442 | 0.59 | — | — |
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-10358427-B2 | Modulators of indoleamine 2,3-dioxygenase | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-07-23 | — | — | US | disclosed |