⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19504477 | 0.73 | GRIN2D (0.41) | — | |
| SCHEMBL12312781 | 0.71 | HSD11B1 (0.33) | — | |
| SCHEMBL13227074 | 0.71 | GRM5 (0.36) | — | |
| SCHEMBL8259424 | 0.71 | GRIN2D (0.31) | — | |
| SCHEMBL15781124 | 0.71 | HSD11B1 (0.33) | — | |
| SCHEMBL16624955 | 0.71 | CRHBP (0.33) | — | |
| SCHEMBL10200642 | 0.71 | GRM5 (0.36) | — | |
| SCHEMBL22792100 | 0.70 | GRIN2D (0.31) | — | |
| SCHEMBL16624956 | 0.70 | GRIN2D (0.34) | — | |
| SCHEMBL681147 | 0.70 | GRIN2D (0.31) | — |
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-7618971-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-11-17 | — | — | US | disclosed |
| US-20080027058-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |