⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11639515 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL8355962 | 0.77 | — | — | |
| SCHEMBL9195742 | 0.75 | — | — | |
| SCHEMBL8010047 | 0.75 | — | — | |
| SCHEMBL6971035 | 0.75 | — | — | |
| SCHEMBL1862378 | 0.75 | — | — | |
| SCHEMBL1132285 | 0.75 | — | — | |
| SCHEMBL10454016 | 0.75 | — | — | |
| SCHEMBL16684649 | 0.73 | — | — | |
| Methylene Chloride SCHEMBL21464115 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55162749-A | — | — | None | — | — | JP | disclosed |
| US-11000033-B2 | Ketone or oxime compound, and herbicide | NISSAN CHEMICAL CORPORATION (JP) | 2021-05-11 | — | — | US | disclosed |
| US-20170347647-A1 | KETONE OR OXIME COMPOUND, AND HERBICIDE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-12-07 | — | — | US | disclosed |
| WO-2016098899-A1 | KETONE OR OXIME COMPOUND, AND HERBICIDE | 日産化学工業株式会社 | 2016-06-23 | — | — | WO | disclosed |
| CN-104066454-A | Chelating agents | GEN ELECTRIC | 2014-09-24 | — | — | CN | disclosed |
| US-4897505-A | Process for the preparation of 3-(2-chloro-2-(4-chloro-phenyl)-vinyl)-2,2-dimethylcyclopropanecarboxylic acid | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-30 | — | — | US | disclosed |
| JP-S55162749-A | NOVEL PROCESS FOR PREPARATION OF 3-ANILINO-3-METHYLBUTAN- 2-ONE | CHISSO CORP | 1980-12-18 | — | — | JP | disclosed |