⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14313407 | 0.94 | HPGDS (0.30) | — | |
| SCHEMBL14312827 | 0.93 | PTGER1 (0.30) | — | |
| SCHEMBL14312836 | 0.93 | TGFBR1 (0.32) | — | |
| SCHEMBL14313305 | 0.90 | HPGDS (0.33) | — | |
| SCHEMBL14312659 | 0.89 | HPGDS (0.34) | — | |
| SCHEMBL14313243 | 0.89 | MAPK8 (0.30) | — | |
| SCHEMBL14313450 | 0.88 | — | — | |
| SCHEMBL14313038 | 0.88 | HPGDS (0.35) | — | |
| SCHEMBL14312676 | 0.86 | TGFBR1 (0.32) | — | |
| SCHEMBL14312784 | 0.86 | NTRK1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2142516-B1 | PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS | SANOFI SA (FR) | 2012-12-26 | — | — | EP | claimed |