⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271190 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7771778 | 0.69 | — | — | |
| Iodide SCHEMBL10494050 | 0.69 | — | — | |
| SCHEMBL6038278 | 0.67 | — | — | |
| SCHEMBL10618347 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10825586 | 0.66 | — | — | |
| SCHEMBL17800668 | 0.65 | — | — | |
| SCHEMBL10837058 | 0.62 | GRM2 (0.34) | — | |
| SCHEMBL2186967 | 0.53 | — | — | |
| SCHEMBL3527120 | 0.52 | — | — |
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-1999032447-A2 | 2,4,6-TRISUBSTITUTED PYRIDINES WITH ESTROGENIC ACTIVITY AND METHODS FOR THE SOLID PHASE SYNTHESIS THEREOF | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-07-01 | — | — | WO | disclosed |