⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29884365 | 0.78 | — | — | |
| SCHEMBL15009376 | 0.77 | — | — | |
| SCHEMBL28783208 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL1784655 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL1784652 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL13368806 | 0.74 | — | — | |
| SCHEMBL1787032 | 0.73 | CDC25A (0.32) | — | |
| SCHEMBL1787031 | 0.73 | CDC25A (0.32) | — | |
| SCHEMBL3731713 | 0.71 | DPP4 (0.31) | — | |
| SCHEMBL12037365 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268848-B2 | Cyclopropane compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-09-18 | — | — | US | disclosed |
| US-20120165339-A1 | CYCLOPROPANE DERIVATIVES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-06-28 | — | — | US | disclosed |
| US-20120095031-A1 | CYCLOPROPANE COMPOUND | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-04-19 | — | — | US | disclosed |