⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11215030 | 0.71 | — | — | |
| SCHEMBL8135995 | 0.65 | — | — | |
| SCHEMBL5937749 | 0.64 | — | — | |
| SCHEMBL5937737 | 0.64 | — | — | |
| SCHEMBL5937743 | 0.64 | — | — | |
| SCHEMBL127815 | 0.59 | BACE1 (0.38) | — | |
| SCHEMBL875677 | 0.57 | — | — | |
| SCHEMBL23796481 | 0.57 | — | — | |
| SCHEMBL20617897 | 0.57 | — | — | |
| SCHEMBL1711998 | 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 |
|---|---|---|---|---|---|---|---|
| US-20150352114-A1 | MITOTIC KINESIN Eg5 INHIBITING ANTICANCER AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2015-12-10 | — | — | US | disclosed |
| WO-2015153967-A1 | MITOTIC KINESIN Eg5 INHIBITING ANTICANCER AGENTS | THE CLEVELAND CLINIC FOUNDATION (US) | 2015-10-08 | — | — | WO | disclosed |