⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL944358 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11820007 | 0.94 | — | — | |
| Sulfuric Acid SCHEMBL28140841 | 0.77 | CA5A (0.38) | — | |
| SCHEMBL3739659 | 0.73 | — | — | |
| SCHEMBL4835244 | 0.71 | — | — | |
| SCHEMBL20856300 | 0.69 | — | — | |
| SCHEMBL708131 | 0.67 | CA5A (0.35) | — | |
| SCHEMBL248160 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL23532687 | 0.67 | TDP1 (0.30) | — | |
| SCHEMBL6434988 | 0.67 | — | — |
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-20050003275-A1 | Ionic conductor and method of producing the same | EBARA CORPORATION (JP) | 2005-01-06 | — | — | US | disclosed |