⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5364320 | 0.83 | — | — | |
| SCHEMBL5369219 | 0.69 | MAPT (0.42) | — | |
| SCHEMBL7137960 | 0.67 | HSP90AA1 (0.32) | — | |
| SCHEMBL7136260 | 0.67 | — | — | |
| SCHEMBL7136631 | 0.65 | LRRK2 (0.43) | — | |
| SCHEMBL7130885 | 0.65 | SIRT1 (0.41) | — | |
| SCHEMBL7139869 | 0.65 | PTPN1 (0.43) | — | |
| SCHEMBL7133880 | 0.65 | LRRK2 (0.48) | — | |
| SCHEMBL7138260 | 0.65 | METAP1 (0.55) | — | |
| SCHEMBL7137199 | 0.64 | MEN1 (0.58) | — |
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-6506763-B2 | Useful in prevention and treatment of protein kinase related disorders such as cancer | SUGEN, INC. | 2003-01-14 | — | — | US | disclosed |