⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29353542 | 0.75 | — | — | |
| SCHEMBL3214006 | 0.75 | — | — | |
| SCHEMBL216307 | 0.75 | — | — | |
| SCHEMBL30839712 | 0.72 | ALDH1A1 (0.65) | — | |
| SCHEMBL29387794 | 0.72 | — | — | |
| SCHEMBL2562278 | 0.72 | — | — | |
| SCHEMBL28859723 | 0.72 | CYP3A4 (0.94) | — | |
| SCHEMBL27185985 | 0.72 | ALDH1A1 (0.65) | — | |
| SCHEMBL40603 | 0.72 | — | — | |
| SCHEMBL30839752 | 0.72 | ALDH1A1 (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2077845-A2 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS VEGFR3 INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008049902-A2 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS VEGFR3 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2008-05-02 | — | — | WO | disclosed |
| EP-1633365-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004105765-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-12-09 | — | — | WO | disclosed |