⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8138275 | 1.00 | — | — | |
| SCHEMBL7198959 | 0.74 | — | — | |
| SCHEMBL4407935 | 0.74 | — | — | |
| SCHEMBL11784907 | 0.74 | — | — | |
| SCHEMBL8143547 | 0.74 | — | — | |
| SCHEMBL7198961 | 0.74 | — | — | |
| SCHEMBL4155283 | 0.74 | — | — | |
| SCHEMBL8140615 | 0.74 | — | — | |
| SCHEMBL8143550 | 0.74 | — | — | |
| SCHEMBL8140614 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6100421-A | METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE | NIPPON SODA CO., LTD. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0894792-A1 | HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES | NIPPON SODA CO., LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |