⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL27961050 | 1.00 | — | — | |
| Ethyne SCHEMBL144006 | 1.00 | — | — | |
| Ethyne SCHEMBL6272096 | 1.00 | — | — | |
| Ethyne SCHEMBL428 | 1.00 | — | — | |
| Ethyne SCHEMBL98802 | 0.82 | — | — | |
| Ethyne SCHEMBL3320792 | 0.82 | — | — | |
| Ethyne SCHEMBL8634307 | 0.82 | — | — | |
| Ethyne SCHEMBL3694283 | 0.82 | — | — | |
| Ethyne SCHEMBL2432764 | 0.82 | — | — | |
| Ethyne SCHEMBL15881927 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008156656-A2 | METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE | STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) | 2008-12-24 | — | — | WO | disclosed |