⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30286975 | 0.82 | — | — | |
| SCHEMBL14685168 | 0.78 | — | — | |
| SCHEMBL1813862 | 0.75 | — | — | |
| SCHEMBL2967242 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL7653132 | 0.74 | THRB (0.31) | — | |
| SCHEMBL31296259 | 0.73 | THRB (0.44) | — | |
| SCHEMBL8377240 | 0.73 | — | — | |
| SCHEMBL5075134 | 0.73 | — | — | |
| SCHEMBL11486807 | 0.73 | THRB (0.44) | — | |
| SCHEMBL339818 | 0.71 | — | — |
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-5122244-A | Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage | BOEHRINGER MANNHEIM GMBH (DE) | 1992-06-16 | — | — | US | disclosed |