⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2603209 | 0.78 | CRBN (0.33) | — | |
| SCHEMBL7177625 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL7622398 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL19978871 | 0.74 | — | — | |
| SCHEMBL5197876 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL7618470 | 0.71 | — | — | |
| SCHEMBL7618473 | 0.71 | — | — | |
| SCHEMBL9043394 | 0.71 | — | — | |
| SCHEMBL6976934 | 0.70 | — | — | |
| SCHEMBL8292175 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040229911-A1 | New pharmaceutical combinations for NOS inhibitors | PFIZER INC | 2004-11-18 | — | — | US | disclosed |
| US-20040077853-A1 | 2-amino-6-(2,4,5-substituted-phenyl)-pyridines | PFIZER INC. | 2004-04-22 | — | — | US | disclosed |