⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10671427 | 0.91 | TAAR1 (0.52) | — | |
| SCHEMBL250827 | 0.91 | TAAR1 (0.52) | — | |
| SCHEMBL251869 | 0.91 | TAAR1 (0.52) | — | |
| SCHEMBL7279542 | 0.86 | — | — | |
| SCHEMBL9855401 | 0.85 | TAAR1 (0.65) | — | |
| SCHEMBL10521145 | 0.83 | TAAR1 (0.62) | — | |
| SCHEMBL8671494 | 0.80 | TAAR1 (0.71) | — | |
| SCHEMBL23501849 | 0.77 | — | — | |
| SCHEMBL2090609 | 0.77 | — | — | |
| SCHEMBL8193738 | 0.77 | — | — |
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-5108573-A | Anchor of thio or halo compound to improve adhesion of polymer to metal substrate; high density | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1992-04-28 | — | — | US | disclosed |