⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2974995 | 1.00 | — | — | |
| SCHEMBL26942159 | 0.92 | DHODH (0.33) | — | |
| SCHEMBL2976874 | 0.92 | DHODH (0.33) | — | |
| SCHEMBL2970879 | 0.87 | — | — | |
| SCHEMBL13201744 | 0.87 | LMNA (0.35) | — | |
| SCHEMBL2970031 | 0.86 | — | — | |
| SCHEMBL26942162 | 0.85 | DHODH (0.33) | — | |
| SCHEMBL2966474 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL9587280 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL9523001 | 0.80 | PPOX (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 3 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 |
| EP-1527052-B1 | 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES | BASF AG (DE) | 2006-05-31 | — | — | EP | disclosed |
| US-20050239655-A1 | 3-heterocyclyl substituted benzoic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2005-10-27 | — | — | US | disclosed |