⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1253339 | 0.91 | — | — | |
| SCHEMBL1253337 | 0.91 | — | — | |
| SCHEMBL5082714 | 0.90 | — | — | |
| SCHEMBL5082703 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL1254615 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL1254618 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL1253897 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1253899 | 0.89 | — | — | |
| SCHEMBL5082367 | 0.82 | — | — | |
| SCHEMBL5082348 | 0.82 | — | — |
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-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | BERMAN JUDD M (CA) | 2012-01-12 | — | — | US | disclosed |