⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL695794 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL1900342 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL1993537 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL187983 | 0.81 | ADRB1 (0.36) | — | |
| SCHEMBL1681276 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL2479690 | 0.78 | HRH3 (0.34) | — | |
| SCHEMBL2476107 | 0.77 | CHRNA7 (0.42) | — | |
| SCHEMBL2479706 | 0.77 | — | — | |
| SCHEMBL2480855 | 0.77 | HRH3 (0.34) | — | |
| SCHEMBL2481612 | 0.77 | KDM4E (0.40) | — |
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-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 |