⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5549254 | 0.93 | HIF1A (0.31) | — | |
| SCHEMBL232289 | 0.93 | — | — | |
| SCHEMBL901971 | 0.88 | CA2 (0.32) | — | |
| SCHEMBL27966948 | 0.87 | PHGDH (0.33) | — | |
| SCHEMBL6504685 | 0.85 | CA2 (0.36) | — | |
| SCHEMBL3531750 | 0.85 | CA2 (0.36) | — | |
| SCHEMBL238766 | 0.82 | HIF1A (0.39) | — | |
| SCHEMBL3824518 | 0.82 | — | — | |
| SCHEMBL13829021 | 0.81 | — | — | |
| SCHEMBL28853280 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090042904-A1 | Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-02-12 | — | — | US | claimed |