⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7998095 | 0.89 | USP2 (0.35) | — | |
| SCHEMBL8111300 | 0.87 | USP2 (0.34) | — | |
| SCHEMBL7998060 | 0.86 | USP2 (0.33) | — | |
| SCHEMBL7998061 | 0.86 | USP2 (0.33) | — | |
| SCHEMBL17629464 | 0.81 | USP2 (0.40) | — | |
| SCHEMBL5408929 | 0.78 | — | — | |
| SCHEMBL7994821 | 0.78 | — | — | |
| SCHEMBL167414 | 0.74 | — | — | |
| SCHEMBL10988605 | 0.74 | USP2 (0.41) | — | |
| SCHEMBL7721554 | 0.74 | ALDH1A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| EP-1003741-A1 | SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007702-A1 | SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-18 | — | — | WO | disclosed |