⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464560 | 0.78 | — | — | |
| SCHEMBL12535934 | 0.77 | NCF1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28677617 | 0.76 | NCF1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL3001802 | 0.76 | NCF1 (0.37) | — | |
| Bromide SCHEMBL29093254 | 0.76 | NCF1 (0.37) | — | |
| SCHEMBL3376050 | 0.74 | — | — | |
| SCHEMBL27349248 | 0.74 | NCF1 (0.40) | — | |
| SCHEMBL271863 | 0.72 | — | — | |
| SCHEMBL16573469 | 0.72 | — | — | |
| SCHEMBL27606256 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8288396-B2 | Pyrimidopyrimidoindazole derivative | MSDKK (JP) | 2012-10-16 | — | — | US | disclosed |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |