⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28037087 | 0.96 | — | — | |
| SCHEMBL1332032 | 0.96 | — | — | |
| SCHEMBL13629 | 0.96 | — | — | |
| Fluoride SCHEMBL28382077 | 0.96 | — | — | |
| Fluoride SCHEMBL5345765 | 0.96 | — | — | |
| SCHEMBL2011229 | 0.96 | — | — | |
| SCHEMBL326193 | 0.96 | ALDH1A1 (0.47) | — | |
| SCHEMBL1332336 | 0.96 | — | — | |
| SCHEMBL20546841 | 0.96 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL453096 | 0.92 | — | — |
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-7005440-B1 | Therapeutic uses of tri-aryl acid derivatives | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2006-02-28 | — | — | US | disclosed |
| CN-1183113-C | Tri-aryl acid derivatives as PPAR receptor ligands | ���ĵ�˹ҩ��¹�����˾ | 2005-01-05 | — | — | CN | disclosed |
| CN-1356983-A | Tri-aryl acid derivatives as PPAR receptor ligands | AVENTIS PHARM PROD INC (DE) | 2002-07-03 | — | — | CN | disclosed |