⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10240755 | 0.84 | — | — | |
| SCHEMBL10241210 | 0.75 | HCRTR1 (0.37) | — | |
| SCHEMBL10239726 | 0.75 | HCRTR1 (0.36) | — | |
| SCHEMBL10241669 | 0.75 | HCRTR1 (0.37) | — | |
| SCHEMBL10241615 | 0.73 | HCRTR2 (0.40) | — | |
| SCHEMBL10239630 | 0.69 | — | — | |
| SCHEMBL10239644 | 0.67 | — | — | |
| SCHEMBL10241174 | 0.63 | HTR3A (0.32) | — | |
| SCHEMBL10240741 | 0.63 | HCRTR1 (0.35) | — | |
| SCHEMBL2619095 | 0.61 | HCRTR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120165339-A1 | CYCLOPROPANE DERIVATIVES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-06-28 | — | — | US | disclosed |