⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7871354 | 1.00 | — | — | |
| SCHEMBL17311933 | 0.81 | KDM4E (0.43) | — | |
| SCHEMBL154141 | 0.80 | — | — | |
| SCHEMBL1012047 | 0.79 | KDM4E (0.48) | — | |
| SCHEMBL4445948 | 0.79 | KDM4E (0.48) | — | |
| SCHEMBL31478749 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL9473130 | 0.75 | — | — | |
| SCHEMBL201785 | 0.75 | — | — | |
| SCHEMBL14857811 | 0.75 | — | — | |
| SCHEMBL11713670 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100099906-A1 | GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES | PROMERUS LLC (US) | 2010-04-22 | — | — | US | disclosed |
| US-20100099906-A1 | GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES | PROMERUS LLC (US) | 2010-04-22 | — | — | US | disclosed |
| US-20090118539-A1 | forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization | PROMERUS, LLC (US) | 2009-05-07 | — | — | US | disclosed |
| US-20090118539-A1 | forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization | PROMERUS, LLC (US) | 2009-05-07 | — | — | US | disclosed |