⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27924496 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL10013074 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL10010450 | 0.80 | — | — | |
| SCHEMBL4675167 | 0.80 | GSTP1 (0.39) | — | |
| SCHEMBL3082774 | 0.79 | — | — | |
| SCHEMBL24242041 | 0.78 | GSTP1 (0.45) | — | |
| SCHEMBL10012461 | 0.78 | GSTP1 (0.38) | — | |
| SCHEMBL4678906 | 0.78 | L3MBTL1 (0.41) | — | |
| SCHEMBL27878784 | 0.78 | L3MBTL1 (0.41) | — | |
| SCHEMBL10011897 | 0.77 | GSTP1 (0.40) | — |
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-117897378-A | Plants with increased tolerance to herbicides | 巴斯夫农业种子解决方案美国有限责任公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-115244035-A | Herbicidal phenyluracils | 巴斯夫欧洲公司 | 2022-10-25 | — | — | CN | disclosed |