⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4497335 | 0.89 | — | — | |
| SCHEMBL4505398 | 0.80 | — | — | |
| SCHEMBL4505670 | 0.80 | — | — | |
| SCHEMBL4494936 | 0.80 | — | — | |
| SCHEMBL4504364 | 0.77 | — | — | |
| SCHEMBL4490394 | 0.76 | — | — | |
| SCHEMBL4489152 | 0.75 | TDP1 (0.44) | — | |
| SCHEMBL4488837 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4495534 | 0.72 | GRM5 (0.39) | — | |
| SCHEMBL4504858 | 0.72 | PYCR1 (0.39) | — |
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-7504429-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | claimed |