⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58305 | 1.00 | — | — | |
| SCHEMBL28177926 | 0.82 | — | — | |
| Propene SCHEMBL28269567 | 0.82 | — | — | |
| Bicarbonate SCHEMBL26092734 | 0.82 | FFAR3 (0.46) | — | |
| Bicarbonate SCHEMBL10180366 | 0.82 | — | — | |
| SCHEMBL7916270 | 0.82 | — | — | |
| Sulfurous Acid SCHEMBL27895763 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL27990208 | 0.78 | — | — | |
| SCHEMBL15272259 | 0.78 | — | — | |
| SCHEMBL22554453 | 0.78 | — | — |
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-0861237-A1 | SUBSTITUTED 1-METHYL-3-PHENYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES AND FOR THE DESICCATION OR DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018195-A1 | SUBSTITUTED 1-METHYL-3-PHENYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES AND FOR THE DESICCATION OR DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-22 | — | — | WO | disclosed |