⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7010710 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL6293603 | 0.69 | — | — | |
| SCHEMBL816541 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL513951 | 0.66 | CYP3A4 (0.40) | — | |
| SCHEMBL6612921 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL317298 | 0.63 | RAPGEF4 (0.33) | — | |
| SCHEMBL28785559 | 0.60 | CYP3A4 (0.39) | — | |
| SCHEMBL29701982 | 0.60 | CYP3A4 (0.39) | — | |
| SCHEMBL6480195 | 0.59 | — | — | |
| SCHEMBL8763856 | 0.59 | DHFR (0.37) | — |
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-0945443-B9 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-13 | — | — | EP | disclosed |
| EP-0945443-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | EP | disclosed |