⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2478239 | 0.81 | SLC6A4 (0.33) | — | |
| SCHEMBL2481875 | 0.72 | SLC6A4 (0.32) | — | |
| SCHEMBL189066 | 0.72 | MRGPRX2 (0.36) | — | |
| SCHEMBL2479406 | 0.71 | — | — | |
| SCHEMBL188649 | 0.70 | HRH3 (0.40) | — | |
| SCHEMBL5761963 | 0.70 | HRH3 (0.44) | — | |
| SCHEMBL5116169 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL5117119 | 0.65 | — | — | |
| SCHEMBL693535 | 0.65 | IKBKB (0.39) | — | |
| SCHEMBL2479279 | 0.65 | SLC18A3 (0.47) | — |
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-2376494-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES | MSD K.K. (JP) | 2011-10-19 | — | — | EP | disclosed |
| EP-2376493-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE | 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 |