⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13645456 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL13523395 | 0.68 | SLC6A2 (0.36) | — | |
| SCHEMBL21416522 | 0.68 | CFTR (0.34) | — | |
| SCHEMBL5545795 | 0.67 | CFTR (0.44) | — | |
| Hydrochloric Acid SCHEMBL4688611 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL5268966 | 0.65 | HDAC4 (0.35) | — | |
| SCHEMBL5595914 | 0.64 | CFTR (0.33) | — | |
| SCHEMBL4965023 | 0.63 | CA2 (0.36) | — | |
| Lithium SCHEMBL5574358 | 0.63 | CFTR (0.32) | — | |
| SCHEMBL4794294 | 0.62 | L3MBTL1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1636160-A4 | NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS | AUSPEX PHARMACEUTICALS (US) | 2006-09-27 | — | — | EP | disclosed |
| EP-1636160-A2 | NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS | Auspex Pharmaceuticals (US) | 2006-03-22 | — | — | EP | disclosed |
| WO-2005000233-A2 | NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS | AUSPEX PHARMACEUTICALS (US) | 2005-01-06 | — | — | WO | disclosed |