⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6987370 | 0.98 | — | — | |
| SCHEMBL3412865 | 0.81 | LMNA (0.34) | — | |
| SCHEMBL10909537 | 0.68 | — | — | |
| SCHEMBL1900342 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL695794 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL7182131 | 0.61 | MAPT (0.34) | — | |
| SCHEMBL7181858 | 0.60 | MAPT (0.33) | — | |
| SCHEMBL747211 | 0.60 | — | — | |
| SCHEMBL5537603 | 0.60 | — | — | |
| SCHEMBL21163090 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1358169-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057261-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-25 | — | — | WO | disclosed |