⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8193239 | 0.91 | — | — | |
| SCHEMBL8187271 | 0.85 | ATP4A (0.61) | — | |
| SCHEMBL8187044 | 0.84 | — | — | |
| SCHEMBL8179558 | 0.83 | — | — | |
| SCHEMBL27525651 | 0.82 | — | — | |
| SCHEMBL8194109 | 0.82 | ATP4A (0.65) | — | |
| SCHEMBL8189994 | 0.80 | ATP4A (0.65) | — | |
| SCHEMBL8186924 | 0.79 | ATP4A (0.64) | — | |
| SCHEMBL8178058 | 0.78 | ATP4A (0.62) | — | |
| SCHEMBL8178063 | 0.78 | ATP4A (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994029274-A1 | NEW ACTIVE COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1994-12-22 | — | — | WO | disclosed |