⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8895748 | 0.82 | — | — | |
| SCHEMBL8894970 | 0.77 | PDK2 (0.33) | — | |
| SCHEMBL2820568 | 0.77 | — | — | |
| SCHEMBL826597 | 0.73 | HDAC3 (0.33) | — | |
| SCHEMBL29472356 | 0.73 | P2RX7 (0.35) | — | |
| SCHEMBL28236259 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL2179956 | 0.73 | P2RX7 (0.35) | — | |
| SCHEMBL30149683 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL4826854 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL18226969 | 0.72 | DPP4 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020827-A1 | FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | WO | disclosed |