⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24571504 | 1.00 | — | — | |
| SCHEMBL734359 | 1.00 | — | — | |
| SCHEMBL735630 | 1.00 | — | — | |
| SCHEMBL14591994 | 0.85 | — | — | |
| SCHEMBL18593223 | 0.82 | HRH3 (0.30) | — | |
| SCHEMBL24781644 | 0.82 | — | — | |
| SCHEMBL26701179 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL24572704 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL14301042 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL26700166 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019115586-A1 | OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | Phenex Discovery Verwaltungs-GmbH (DE) | 2019-06-20 | — | — | WO | disclosed |