⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27861293 | 0.80 | FFAR1 (0.33) | — | |
| SCHEMBL10815196 | 0.79 | TRPA1 (0.33) | — | |
| SCHEMBL10146248 | 0.76 | — | — | |
| SCHEMBL10506352 | 0.75 | — | — | |
| SCHEMBL27762947 | 0.72 | CYP19A1 (0.43) | — | |
| SCHEMBL10513500 | 0.72 | CPB2 (0.36) | — | |
| SCHEMBL10372650 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL3295069 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL28275355 | 0.69 | — | — | |
| SCHEMBL28780403 | 0.68 | CYP19A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0116262-B1 | FLUORAZOLYLPROPANOL DERIVATIVES AS MICROBICIDES AND PLANT GROWTH REGULATORS | CIBA-GEIGY AG (CH) | 1989-12-27 | — | — | EP | disclosed |
| EP-0116262-A2 | Fluorazolylpropanol derivatives as microbicides and plant growth regulators | CIBA-GEIGY AG (CH) | 1984-08-22 | — | — | EP | disclosed |