⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1261313 | 1.00 | — | — | |
| SCHEMBL8602214 | 1.00 | — | — | |
| SCHEMBL27795833 | 0.87 | HDAC2 (0.48) | — | |
| SCHEMBL27348061 | 0.87 | HDAC2 (0.48) | — | |
| SCHEMBL8600653 | 0.87 | HDAC2 (0.48) | — | |
| Fumaric Acid SCHEMBL7620807 | 0.79 | TSHR (0.90) | — | |
| Fumaric Acid SCHEMBL14715835 | 0.79 | — | — | |
| Maleic Acid SCHEMBL429154 | 0.79 | — | — | |
| Fumaric Acid SCHEMBL258677 | 0.79 | — | — | |
| Maleic Acid SCHEMBL7620797 | 0.79 | TSHR (0.90) | — |
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-5733342-A | BUILDERS AND BLEACH STABILIZERS IN DETERGENTS AND CLEANING COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-03-31 | — | — | US | disclosed |