⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4670888 | 0.87 | — | — | |
| SCHEMBL4793424 | 0.76 | FPR2 (0.34) | — | |
| SCHEMBL4669442 | 0.69 | DGAT1 (0.32) | — | |
| SCHEMBL4825679 | 0.67 | — | — | |
| SCHEMBL4825674 | 0.67 | FPR2 (0.30) | — | |
| SCHEMBL4672923 | 0.65 | GAA (0.34) | — | |
| SCHEMBL31637535 | 0.58 | GAA (0.30) | — | |
| Fumaric Acid SCHEMBL4819673 | 0.58 | NR4A1 (0.33) | — | |
| Fumaric Acid SCHEMBL4819665 | 0.58 | NR4A1 (0.33) | — | |
| SCHEMBL20576850 | 0.57 | ALDH1A1 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1757586-B1 | POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG | SERVIER LAB (FR) | 2008-12-03 | — | — | EP | disclosed |
| EP-1757586-A1 | POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG | Les Laboratoires Servier (FR) | 2007-02-28 | — | — | EP | disclosed |