⚠ 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 | |
|---|---|---|---|---|
| Propylformate SCHEMBL28388058 | 1.00 | — | — | |
| Propylformate SCHEMBL18445 | 0.97 | — | — | |
| Propylformate SCHEMBL30995061 | 0.97 | ALDH1A1 (0.35) | — | |
| Propylformate SCHEMBL28608790 | 0.94 | — | — | |
| Propylformate SCHEMBL27928581 | 0.94 | — | — | |
| Propylformate SCHEMBL29208212 | 0.94 | — | — | |
| Propylformate SCHEMBL28285620 | 0.94 | — | — | |
| Propylformate SCHEMBL7793408 | 0.94 | — | — | |
| Propylformate SCHEMBL27029843 | 0.94 | — | — | |
| Propylformate SCHEMBL27810122 | 0.94 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113243374-B | Heterocyclic compounds as pesticides | 拜耳农作物科学股份公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-108004235-B | Soybean event SYHT0H2 and compositions and methods for detection thereof | 先正达参股股份有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-113243374-A | Heterocyclic compounds as pesticides | 拜耳农作物科学股份公司 | 2021-08-13 | — | — | CN | disclosed |
| CN-108477173-B | Heterocyclic compounds as pesticides | 拜耳农作物科学股份公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-108290886-B | 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents | 拜耳作物科学股份公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-107810188-B | Fused bicyclic heterocyclic derivatives as pest control agents and intermediate products | 拜耳作物科学股份公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-107466214-A | Improve the method for health and for the product and kit in this method | 耐特福司克股份公司 | 2017-12-12 | — | — | CN | disclosed |
| CN-1509141-A | Herbicides based on substituted aryl ketones | �ݶ�ũ�����ѧ�ɷݹ�˾ | 2004-06-30 | — | — | CN | disclosed |