⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6935170 | 0.79 | — | — | |
| SCHEMBL10870360 | 0.71 | GSK3A (0.35) | — | |
| SCHEMBL36449 | 0.69 | GSK3A (0.33) | — | |
| SCHEMBL48012 | 0.67 | LMNA (0.37) | — | |
| Potassium Ion SCHEMBL10908762 | 0.66 | GSK3A (0.31) | — | |
| SCHEMBL596181 | 0.66 | GSK3A (0.31) | — | |
| SCHEMBL11386613 | 0.64 | SRD5A2 (0.34) | — | |
| SCHEMBL7266574 | 0.62 | ALDH1A1 (0.48) | — | |
| SCHEMBL2881376 | 0.62 | — | — | |
| SCHEMBL3205528 | 0.61 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050119190-A1 | Inhibitors of the blood-clotting factor xa, production thereof and use of the same | CURACYTE AG (DE) | 2005-06-02 | — | — | US | disclosed |