⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7733750 | 1.00 | — | — | |
| SCHEMBL7733746 | 1.00 | — | — | |
| Acetonitrile SCHEMBL27498045 | 0.60 | — | — | |
| Acetonitrile SCHEMBL27286087 | 0.60 | ALDH1A1 (0.46) | — | |
| SCHEMBL2400267 | 0.59 | — | — | |
| SCHEMBL2400269 | 0.59 | — | — | |
| SCHEMBL108872 | 0.59 | — | — | |
| SCHEMBL575062 | 0.59 | — | — | |
| SCHEMBL575061 | 0.59 | — | — | |
| SCHEMBL22750854 | 0.59 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9758502-B2 | Dihydropyrone compounds and herbicides comprising the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-09-12 | — | — | US | disclosed |
| EP-2925736-B1 | DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME | SUMITOMO CHEMICAL CO (JP) | 2017-01-04 | — | — | EP | disclosed |
| US-20150299156-A1 | DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-22 | — | — | US | disclosed |
| US-6407041-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-18 | — | — | US | disclosed |
| EP-1037882-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AG (DE) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999029677-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-17 | — | — | WO | disclosed |
| WO-1999019309-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-04-22 | — | — | WO | disclosed |
| US-5834404-A | Substituted bicycloheptanedione derivative and herbicide | NIPPON SODA CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0791572-A1 | SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE | NIPPON SODA CO., LTD. (JP) | 1997-08-27 | — | — | EP | disclosed |
| CN-1098713-A | The ortho-ethenylphenylacetic acid derivatives that replaces | BASF AG (DE) | 1995-02-15 | — | — | CN | disclosed |
| US-4059432-A | A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE | MITSUBISHI PETROCHEMICAL CO., LTD. (JA) | 1977-11-22 | — | — | US | disclosed |
| US-4059431-A | A 2-SULFONYLOXYETHYL-PHOSPHONIC OR -THIONOPHOSPHONIC ACID DERIVATIVE | MITSUBISHI PETROCHEMICAL CO., LTD. (JA) | 1977-11-22 | — | — | US | disclosed |
| US-4001318-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | disclosed |
| US-3950367-A | FROM IMINO COMPOUND AND PHOSGENE, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |