⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6746289 | 0.76 | — | — | |
| SCHEMBL6744540 | 0.71 | — | — | |
| SCHEMBL6743430 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL3608 | 0.71 | — | — | |
| SCHEMBL6748894 | 0.69 | ALDH1A1 (0.45) | — | |
| Fluoride SCHEMBL25337972 | 0.68 | — | — | |
| Propane SCHEMBL5723751 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL11717158 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL21596295 | 0.68 | — | — | |
| SCHEMBL23319722 | 0.68 | — | — |
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-5356922-A | Treatment of disturbances in microcirculation | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-10-18 | — | — | US | disclosed |
| US-5232922-A | Cardiovascular disorders | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-08-03 | — | — | US | disclosed |