⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL754344 | 0.78 | — | — | |
| SCHEMBL1289829 | 0.76 | — | — | |
| SCHEMBL4944398 | 0.74 | — | — | |
| SCHEMBL3884473 | 0.74 | — | — | |
| Bicarbonate SCHEMBL14991400 | 0.72 | AKR1B1 (0.39) | — | |
| SCHEMBL126921 | 0.69 | — | — | |
| SCHEMBL8160409 | 0.67 | — | — | |
| SCHEMBL8413483 | 0.67 | — | — | |
| SCHEMBL1521339 | 0.67 | — | — | |
| SCHEMBL27946961 | 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-5591844-A | CONSTRUCTION MATERIALS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-01-07 | — | — | US | disclosed |