⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19966359 | 0.78 | — | — | |
| SCHEMBL24603345 | 0.77 | — | — | |
| SCHEMBL24289339 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL8040470 | 0.71 | — | — | |
| SCHEMBL13176418 | 0.71 | — | — | |
| SCHEMBL29781 | 0.69 | — | — | |
| SCHEMBL8051545 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10665656 | 0.67 | ARG1 (0.32) | — | |
| SCHEMBL8051548 | 0.65 | — | — | |
| SCHEMBL15863894 | 0.65 | — | — |
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-2020216766-A1 | MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY | EVOTEC INTERNATIONAL GMBH (DE) | 2020-10-29 | — | — | WO | disclosed |