⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17956866 | 0.75 | — | — | |
| SCHEMBL39411 | 0.72 | — | — | |
| SCHEMBL9768919 | 0.71 | — | — | |
| SCHEMBL1756881 | 0.70 | — | — | |
| SCHEMBL14797748 | 0.70 | — | — | |
| SCHEMBL11668775 | 0.70 | — | — | |
| SCHEMBL7512031 | 0.69 | CALM1 (0.44) | — | |
| SCHEMBL9350812 | 0.67 | — | — | |
| SCHEMBL8439728 | 0.67 | PDE5A (0.31) | — | |
| SCHEMBL9227805 | 0.65 | PDE5A (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090018300-A1 | MONOMERS AND POLYMERS FROM BIODERIVED CARBON | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2009-01-15 | — | — | US | disclosed |
| EP-0851881-A1 | DISPERSIONS CONTAINING POLYURETHANES WITH CARBONYL GROUPS IN THE KETO FUNCTION | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997011103-A1 | DISPERSIONS CONTAINING POLYURETHANES WITH CARBONYL GROUPS IN THE KETO FUNCTION | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-27 | — | — | WO | disclosed |