⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL17472962 | 1.00 | — | — | |
| SCHEMBL16959 | 0.91 | — | — | |
| SCHEMBL2335211 | 0.91 | TSHR (0.58) | — | |
| SCHEMBL14994799 | 0.91 | TSHR (0.58) | — | |
| Ethylene Glycol SCHEMBL9304704 | 0.89 | TSHR (0.41) | — | |
| Methane SCHEMBL25267970 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL137610 | 0.86 | — | — | |
| Water SCHEMBL4796024 | 0.86 | — | — | |
| SCHEMBL5899501 | 0.86 | — | — | |
| Water SCHEMBL1970384 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1054494-C | Plant protectant | HOECHST AG (DE) | 2000-07-19 | — | — | CN | disclosed |
| CN-1063794-A | New plant protection product | HOECHST AG (DE) | 1992-08-26 | — | — | CN | disclosed |