⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL291471 | 0.75 | — | — | |
| SCHEMBL4753612 | 0.68 | — | — | |
| SCHEMBL15240201 | 0.68 | — | — | |
| SCHEMBL16823348 | 0.68 | — | — | |
| SCHEMBL4600312 | 0.68 | — | — | |
| SCHEMBL9336084 | 0.63 | — | — | |
| SCHEMBL7087282 | 0.63 | — | — | |
| SCHEMBL6845460 | 0.63 | — | — | |
| SCHEMBL3836449 | 0.62 | — | — | |
| SCHEMBL4807799 | 0.62 | TDP1 (0.35) | — |
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-2084159-A1 | PYRIDO Ý2, 3-D¨PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | GPC Biotech Inc. (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008150260-A1 | 8-OXY-2-AMINOPYRIDO (2, 3-D) PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND ANTICANCER AGENTS | GPC BIOTECH, INC. (US) | 2008-12-11 | — | — | WO | disclosed |
| WO-2008047307-A1 | PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | GPC BIOTECH INC. (US) | 2008-04-24 | — | — | WO | disclosed |
| EP-0530335-A1 | DIPHOSPHONIC ACID DERIVATES AS INTERMEDIATES FOR THE PRODUCTION OF DIPHOSPHINE LIGANDS. | HOFFMANN LA ROCHE (CH) | 1993-03-10 | — | — | EP | disclosed |
| WO-1992016535-A1 | DIPHOSPHONIC ACID DERIVATES AS INTERMEDIATES FOR THE PRODUCTION OF DIPHOSPHINE LIGANDS | F.HOFFMANN-LA ROCHE AG (CH) | 1992-10-01 | — | — | WO | disclosed |