⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6427527 | 0.88 | — | — | |
| SCHEMBL2964332 | 0.88 | PPARD (0.32) | — | |
| SCHEMBL2963126 | 0.86 | — | — | |
| Butafenacil SCHEMBL29482232 | 0.85 | XPA (0.34) | — | |
| Butafenacil SCHEMBL39148 | 0.85 | XPA (0.34) | — | |
| Butafenacil SCHEMBL20521380 | 0.83 | XPA (0.34) | — | |
| SCHEMBL6553913 | 0.82 | MEN1 (0.35) | — | |
| SCHEMBL9350533 | 0.82 | CTSB (0.33) | — | |
| SCHEMBL7953660 | 0.81 | PPARG (0.31) | — | |
| SCHEMBL6553785 | 0.81 | CYP4F2 (0.34) | — |
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-7767624-B2 | 3-Heterocyclyl substituted benzoic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2010-08-03 | — | — | US | disclosed |
| US-20050239655-A1 | 3-heterocyclyl substituted benzoic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2005-10-27 | — | — | US | disclosed |