⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4853721 | 0.77 | — | — | |
| SCHEMBL10833260 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL3337528 | 0.76 | CYP3A4 (0.38) | — | |
| SCHEMBL476633 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL7789589 | 0.76 | — | — | |
| SCHEMBL4909050 | 0.76 | GABRA1 (0.46) | — | |
| SCHEMBL27472841 | 0.76 | ESR1 (0.31) | — | |
| SCHEMBL28454482 | 0.74 | MAPT (0.30) | — | |
| SCHEMBL11388664 | 0.73 | — | — | |
| SCHEMBL9555419 | 0.73 | ALDH1A1 (0.33) | — |
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-5096914-A | Hypotensive agents | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1992-03-17 | — | — | US | disclosed |
| US-5028711-A | Hypotensive Agents | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1991-07-02 | — | — | US | disclosed |