⚠ 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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL8159679 | 0.97 | TSHR (0.60) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL3180 | 0.97 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL9557413 | 0.97 | TSHR (0.60) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL23607549 | 0.95 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL10633408 | 0.95 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL10389971 | 0.95 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL2243109 | 0.95 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL4653222 | 0.95 | TSHR (0.58) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL2482159 | 0.95 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL15553985 | 0.95 | TSHR (0.58) | — |
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-110294765-A | Composition containing pyridine Nan Ping insecticide and auxiliary agent | 巴斯夫欧洲公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-106117231-B | Composition containing pyridine Nan Ping insecticide and auxiliary agent | 巴斯夫欧洲公司 | 2019-09-03 | — | — | CN | disclosed |