⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3534897 | 0.81 | — | — | |
| SCHEMBL27369265 | 0.78 | — | — | |
| SCHEMBL7777017 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL28011570 | 0.72 | ADH1B (0.45) | — | |
| SCHEMBL38438 | 0.71 | — | — | |
| SCHEMBL27440922 | 0.71 | — | — | |
| SCHEMBL27402753 | 0.71 | — | — | |
| Alcohol SCHEMBL1226116 | 0.70 | AKR1B1 (0.31) | — | |
| SCHEMBL28503056 | 0.69 | — | — | |
| Acetic Acid SCHEMBL11124201 | 0.69 | ALDH1A1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110337436-A | Substituted 1,2,4- thiadiazolyl group pyrrolones and 1,2,4- thiadiazolyl group hydantoins and its salt and its purposes as herbicide | 拜耳作物科学股份公司 | 2019-10-15 | — | — | CN | claimed |
| CN-110337436-A | Substituted 1,2,4- thiadiazolyl group pyrrolones and 1,2,4- thiadiazolyl group hydantoins and its salt and its purposes as herbicide | 拜耳作物科学股份公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-109790150-A | Substituted pyrazolinyl derivative, preparation method and its purposes as herbicide and/or plant growth regulator | 拜耳作物科学股份公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-107735474-A | Adhesive and bonding sheet | 琳得科株式会社 | 2018-02-23 | — | — | CN | disclosed |