⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7624180 | 0.84 | RXRA (0.30) | — | |
| SCHEMBL7626160 | 0.78 | — | — | |
| SCHEMBL7626100 | 0.78 | — | — | |
| SCHEMBL7617154 | 0.76 | PTPN1 (0.33) | — | |
| SCHEMBL7617162 | 0.76 | RARB (0.30) | — | |
| SCHEMBL7618992 | 0.76 | — | — | |
| SCHEMBL7629271 | 0.76 | LOX (0.32) | — | |
| SCHEMBL7617111 | 0.71 | HPD (0.33) | — | |
| SCHEMBL7625208 | 0.71 | RXRA (0.33) | — | |
| SCHEMBL7621921 | 0.71 | RXRA (0.39) | — |
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 1 patent. 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 |