⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904632 | 0.78 | — | — | |
| SCHEMBL29457179 | 0.76 | — | — | |
| SCHEMBL1046165 | 0.76 | — | — | |
| SCHEMBL696060 | 0.76 | — | — | |
| SCHEMBL904420 | 0.76 | — | — | |
| SCHEMBL31703749 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4254927 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL8693725 | 0.76 | — | — | |
| SCHEMBL30473425 | 0.76 | — | — | |
| SCHEMBL14732897 | 0.76 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111511728-B | Compound for separating rare earth elements and s, p, d metals, separation method and use thereof | 有机生物化学公司 | 2023-12-08 | — | — | CN | disclosed |
| US-5322844-A | Cardiovascular disorders, antiinflammatory agents, antiallergens | GODECKE AKTIENGESELLSCHAFT (DE) | 1994-06-21 | — | — | US | disclosed |
| US-5185352-A | Treating or preventing cardiovascular disorders | GOEDECKE AKTIENGESELLSCHAFT (DE) | 1993-02-09 | — | — | US | disclosed |