⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5397959 | 0.74 | — | — | |
| SCHEMBL11353380 | 0.71 | AKT1 (0.37) | — | |
| SCHEMBL6050863 | 0.68 | — | — | |
| SCHEMBL11353371 | 0.68 | — | — | |
| SCHEMBL87533 | 0.67 | — | — | |
| SCHEMBL2086503 | 0.67 | — | — | |
| SCHEMBL18471538 | 0.67 | NOS3 (0.44) | — | |
| SCHEMBL17203401 | 0.67 | KMT2A (0.44) | — | |
| SCHEMBL1712320 | 0.66 | MAP4K4 (0.42) | — | |
| SCHEMBL1822947 | 0.65 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846926-B1 | Triazolyl-aminotriazine compositions, including salts | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2005-01-25 | — | — | US | disclosed |
| US-6846926-B1 | Triazolyl-aminotriazine compositions, including salts | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2005-01-25 | — | — | US | disclosed |