⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3658884 | 1.00 | — | — | |
| SCHEMBL3658887 | 0.73 | — | — | |
| SCHEMBL3671537 | 0.70 | — | — | |
| SCHEMBL873077 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL5706273 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL107772 | 0.65 | — | — | |
| SCHEMBL336091 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL1051643 | 0.62 | PTPN1 (0.38) | — | |
| SCHEMBL1052195 | 0.62 | PTPN1 (0.38) | — | |
| SCHEMBL10698482 | 0.62 | PTPN1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2209758-A1 | GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES | Promerus, LLC (US) | 2010-07-28 | — | — | EP | 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-7662996-B2 | 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) | 2010-02-16 | — | — | US | disclosed |
| WO-2009061723-A1 | GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES | PROMERUS, LLC (US) | 2009-05-14 | — | — | WO | 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 |