⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7622103 | 0.88 | RXRA (0.35) | — | |
| SCHEMBL7625216 | 0.87 | RXRA (0.31) | — | |
| SCHEMBL7675069 | 0.85 | CYP3A4 (0.34) | — | |
| SCHEMBL7617943 | 0.80 | HPD (0.31) | — | |
| SCHEMBL7621926 | 0.79 | RXRA (0.36) | — | |
| SCHEMBL7997542 | 0.72 | — | — | |
| SCHEMBL7670823 | 0.71 | CYP3A4 (0.34) | — | |
| SCHEMBL7623305 | 0.70 | CYP19A1 (0.34) | — | |
| SCHEMBL7624188 | 0.69 | — | — | |
| SCHEMBL7618967 | 0.66 | HDAC4 (0.33) | — |
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-6440899-B1 | CROP HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-27 | — | — | US | disclosed |
| US-6326333-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-04 | — | — | US | disclosed |