⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6510234 | 0.88 | RAB9A (0.32) | — | |
| SCHEMBL6512214 | 0.87 | ATR (0.33) | — | |
| SCHEMBL6509258 | 0.84 | ATR (0.30) | — | |
| SCHEMBL6502627 | 0.83 | MAP3K8 (0.35) | — | |
| SCHEMBL6508505 | 0.83 | MAP3K8 (0.38) | — | |
| SCHEMBL6505107 | 0.82 | MAP3K8 (0.42) | — | |
| SCHEMBL6502580 | 0.81 | KRAS (0.33) | — | |
| SCHEMBL6505949 | 0.81 | — | — | |
| SCHEMBL6508925 | 0.81 | RXRA (0.32) | — | |
| SCHEMBL6508214 | 0.81 | ATR (0.34) | — |
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-20050090529-A1 | 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation | PFIZER INC | 2005-04-28 | — | — | US | disclosed |