⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478452 | 0.87 | SOS1 (0.39) | — | |
| SCHEMBL22368504 | 0.87 | NEK2 (0.35) | — | |
| SCHEMBL17307621 | 0.83 | — | — | |
| SCHEMBL1755474 | 0.77 | — | — | |
| SCHEMBL15679564 | 0.77 | SOS1 (0.34) | — | |
| SCHEMBL20019689 | 0.75 | SOS1 (0.47) | — | |
| SCHEMBL14161265 | 0.75 | SOS1 (0.38) | — | |
| SCHEMBL15694920 | 0.74 | SOS1 (0.36) | — | |
| SCHEMBL3418073 | 0.69 | — | — | |
| SCHEMBL14140949 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010082612-A1 | IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE | 第一三共株式会社 (JP) | 2010-07-22 | — | — | WO | disclosed |