⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL237 | 0.87 | — | — | |
| SCHEMBL30788722 | 0.87 | — | — | |
| SCHEMBL175558 | 0.87 | — | — | |
| SCHEMBL30536993 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL23420518 | 0.80 | — | — | |
| SCHEMBL8741047 | 0.80 | — | — | |
| SCHEMBL3286907 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1473454 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL21359612 | 0.80 | — | — | |
| Fluoride SCHEMBL11215445 | 0.80 | TSHR (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315767-A | Triazolone herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4214891-A | Triazolone herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-07-29 | — | — | US | disclosed |
| US-4139364-A | Triazolone herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-02-13 | — | — | US | disclosed |