⚠ 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 Ion SCHEMBL699470 | 0.71 | ALDH1A1 (0.44) | — | |
| Fluoride Ion SCHEMBL700881 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL11707018 | 0.71 | ALDH1A1 (0.50) | — | |
| Benzene SCHEMBL31091106 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL143876 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL30828361 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL8196110 | 0.68 | ALDH1A1 (0.47) | — | |
| SCHEMBL10907802 | 0.68 | ALDH1A1 (0.47) | — | |
| Phosphine SCHEMBL7098339 | 0.68 | ALDH1A1 (0.47) | — | |
| SCHEMBL10906688 | 0.68 | ALDH1A1 (0.47) | — |
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-20240254540-A1 | Methods and Compositions for Determining pH | THE UNIVERSITY OF CHICAGO | 2024-08-01 | — | — | US | disclosed |
| US-11898195-B2 | Methods and compositions for determining pH | THE UNIVERSITY OF CHICAGO (US) | 2024-02-13 | — | — | US | disclosed |
| CN-108350466-B | Methods and compositions for determining pH | 芝加哥大学 | 2022-06-24 | — | — | CN | disclosed |