⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27335920 | 0.94 | ATP4A (0.57) | — | |
| SCHEMBL8193239 | 0.89 | — | — | |
| SCHEMBL8186924 | 0.89 | ATP4A (0.64) | — | |
| SCHEMBL27332132 | 0.85 | — | — | |
| SCHEMBL8194109 | 0.84 | ATP4A (0.65) | — | |
| SCHEMBL8187271 | 0.83 | ATP4A (0.61) | — | |
| SCHEMBL8190133 | 0.82 | ATP4A (0.73) | — | |
| SCHEMBL8188493 | 0.82 | ATP4A (0.68) | — | |
| SCHEMBL9394052 | 0.82 | — | — | |
| SCHEMBL8190053 | 0.82 | ATP4A (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1045955-C | New active compounds | ASTRA AB (SE) | 1999-10-27 | — | — | CN | disclosed |
| CN-1125438-A | Novel active compounds | ASTRA AB (SE) | 1996-06-26 | — | — | CN | disclosed |