⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11227103 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11227105 | 0.97 | — | — | |
| SCHEMBL11274692 | 0.78 | — | — | |
| SCHEMBL11274696 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11270727 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11281907 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11281909 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7010889 | 0.76 | — | — | |
| SCHEMBL14455210 | 0.74 | — | — | |
| SCHEMBL21737640 | 0.70 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611165-B1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-08-16 | — | — | EP | disclosed |
| EP-2682115-A1 | INTERNAL PARASITICIDE | The University of Tokyo (JP) | 2014-01-08 | — | — | EP | disclosed |
| EP-2039687-B1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS | TORAY INDUSTRIES (JP) | 2012-05-02 | — | — | EP | disclosed |
| EP-1758883-B1 | Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors | SCHERING CORP (US) | 2011-11-02 | — | — | EP | disclosed |
| EP-2042171-B1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | TORAY INDUSTRIES (JP) | 2011-05-11 | — | — | EP | disclosed |