⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29447338 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL3955072 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL29695262 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL8927613 | 0.78 | WDR5 (0.30) | — | |
| SCHEMBL8059159 | 0.77 | ALDH1A1 (0.30) | — | |
| Potassium SCHEMBL29695394 | 0.77 | WDR5 (0.37) | — | |
| SCHEMBL8056029 | 0.76 | KCNJ11 (0.32) | — | |
| SCHEMBL8055076 | 0.76 | ATM (0.30) | — | |
| SCHEMBL8020132 | 0.72 | CYP2A6 (0.41) | — | |
| SCHEMBL8056031 | 0.72 | CES1 (0.36) | — |
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-5684182-A | Sulfonated diphosphines and a process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-04 | — | — | US | disclosed |