⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20843901 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL15882175 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL26122169 | 0.73 | PI4KA (0.35) | — | |
| SCHEMBL13093485 | 0.72 | — | — | |
| SCHEMBL16965035 | 0.71 | LRRK2 (0.45) | — | |
| SCHEMBL21893414 | 0.70 | — | — | |
| SCHEMBL21587705 | 0.70 | — | — | |
| SCHEMBL12179387 | 0.70 | — | — | |
| SCHEMBL7553663 | 0.70 | — | — | |
| SCHEMBL31656609 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024137607-A1 | THIADIAZOLE DERIVATIVES AS INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF | VENTUS THERAPEUTICS U.S., INC. (US) | 2024-06-27 | — | — | WO | disclosed |
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |