⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15115018 | 0.69 | PBRM1 (0.31) | — | |
| SCHEMBL34907 | 0.65 | — | — | |
| SCHEMBL3979789 | 0.57 | — | — | |
| SCHEMBL353175 | 0.57 | TSHR (0.36) | — | |
| SCHEMBL34906 | 0.50 | — | — | |
| SCHEMBL4465325 | 0.50 | TSHR (0.71) | — | |
| Water SCHEMBL1168306 | 0.48 | — | — | |
| Hydrogen Sulfide SCHEMBL7469110 | 0.48 | — | — | |
| Hydrochloric Acid SCHEMBL21176564 | 0.48 | TSHR (0.67) | — | |
| SCHEMBL21810674 | 0.47 | ADCY6 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4183864-A | Cobalt catalyzed steroid synthesis | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) | 1980-01-15 | — | — | US | disclosed |