⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL758775 | 0.76 | — | — | |
| SCHEMBL12020170 | 0.76 | ESR1 (0.35) | — | |
| SCHEMBL15809885 | 0.76 | ESR1 (0.35) | — | |
| SCHEMBL13168808 | 0.70 | HSD17B3 (0.40) | — | |
| SCHEMBL483911 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL8660901 | 0.67 | ESR2 (0.47) | — | |
| SCHEMBL21827458 | 0.67 | — | — | |
| SCHEMBL308699 | 0.67 | — | — | |
| SCHEMBL22484527 | 0.67 | — | — | |
| SCHEMBL21827980 | 0.67 | — | — |
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-1030679-C | Herbicide increasing of service life in soil | STAUFFER CHEMICAL CO (US) | 1996-01-17 | — | — | CN | disclosed |
| CN-85107560-A | Herbicidal combination for extending the useful life in soil | — | 1987-02-18 | — | — | CN | disclosed |