⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13974209 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL8133286 | 0.69 | — | — | |
| SCHEMBL13386672 | 0.69 | — | — | |
| SCHEMBL2757994 | 0.69 | TDP1 (0.40) | — | |
| SCHEMBL8905559 | 0.67 | AKT1 (0.31) | — | |
| SCHEMBL8962253 | 0.67 | HMGCR (0.31) | — | |
| SCHEMBL5208825 | 0.67 | HMGCR (0.31) | — | |
| SCHEMBL13386668 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL2164842 | 0.67 | TRPA1 (0.36) | — | |
| SCHEMBL224792 | 0.67 | ALDH1A1 (0.35) | — |
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-11078168-B2 | Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase | Phenex Discovery Verwaltungs-GmbH (DE) | 2021-08-03 | — | — | US | disclosed |
| US-20190292160-A1 | SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | Phenex Discovery Verwaltungs-GmbH (DE) | 2019-09-26 | — | — | US | disclosed |