⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2476193 | 0.76 | PIK3CA (0.34) | — | |
| SCHEMBL2476107 | 0.75 | CHRNA7 (0.42) | — | |
| SCHEMBL2481612 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL695794 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1900342 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL2484178 | 0.74 | FASN (0.40) | — | |
| SCHEMBL2480403 | 0.72 | CASP6 (0.42) | — | |
| SCHEMBL2483080 | 0.72 | LMNA (0.44) | — | |
| SCHEMBL6639795 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL187983 | 0.72 | ADRB1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376493-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE | MSD K.K. (JP) | 2011-10-19 | — | — | EP | disclosed |
| EP-2376494-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES | MSD K.K. (JP) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010067886-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010067888-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-06-17 | — | — | WO | disclosed |