⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11690149 | 0.78 | NPSR1 (0.31) | — | |
| SCHEMBL4102140 | 0.71 | SLC2A1 (0.36) | — | |
| SCHEMBL27875835 | 0.71 | CASP1 (0.33) | — | |
| SCHEMBL8281081 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL7601080 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL28041791 | 0.67 | — | — | |
| SCHEMBL29152865 | 0.67 | PDE4A (0.35) | — | |
| SCHEMBL3803757 | 0.66 | NPSR1 (0.42) | — | |
| SCHEMBL11208926 | 0.65 | DHFR (0.36) | — | |
| SCHEMBL27395844 | 0.65 | CDK1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6232312-B1 | ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER | CELL PATHWAYS, INC. | 2001-05-15 | — | — | US | disclosed |