⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14973761 | 0.71 | — | — | |
| SCHEMBL9160120 | 0.65 | — | — | |
| SCHEMBL10332679 | 0.62 | — | — | |
| SCHEMBL544619 | 0.60 | — | — | |
| SCHEMBL7734595 | 0.58 | — | — | |
| SCHEMBL246251 | 0.58 | — | — | |
| SCHEMBL246252 | 0.58 | — | — | |
| SCHEMBL1237757 | 0.58 | — | — | |
| SCHEMBL9161853 | 0.55 | — | — | |
| Propane SCHEMBL15302659 | 0.55 | — | — |
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-2011112380-A2 | TWO NOVEL ALKYLRESORCINOL SYNTHASE GENES FROM SORGHUM; CLONING, EXPRESSION, TRANSFORMATION AND CHARACTERIZATION | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 2011-09-15 | — | — | WO | disclosed |