⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618875 | 0.96 | — | — | |
| SCHEMBL2160061 | 0.96 | — | — | |
| SCHEMBL620800 | 0.95 | ACHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL9581306 | 0.91 | ACHE (0.33) | — | |
| Hydrochloric Acid SCHEMBL4339159 | 0.91 | ACHE (0.33) | — | |
| Hydrochloric Acid SCHEMBL3353879 | 0.91 | — | — | |
| Fluoride SCHEMBL1130344 | 0.91 | — | — | |
| SCHEMBL6066857 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3898494 | 0.91 | — | — | |
| SCHEMBL620545 | 0.89 | — | — |
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-20110184132-A1 | Catalyst Compositions Comprising Support Materials Having an Improved Particle-Size Distribution | UNIVATION TECHNOLOGIES, LLC (US) | 2011-07-28 | — | — | US | disclosed |