⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL31492640 | 0.89 | HDAC7 (0.34) | — | |
| SCHEMBL25996901 | 0.78 | SLC15A1 (0.32) | — | |
| SCHEMBL10153710 | 0.75 | — | — | |
| SCHEMBL2162300 | 0.73 | — | — | |
| SCHEMBL1615399 | 0.73 | — | — | |
| SCHEMBL23135540 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27634675 | 0.73 | — | — | |
| SCHEMBL27387044 | 0.73 | — | — | |
| Methane SCHEMBL28699125 | 0.71 | — | — | |
| Ethane SCHEMBL28700069 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0898570-A1 | HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997038996-A1 | HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-23 | — | — | WO | disclosed |