⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27159564 | 0.67 | CHRNB2 (0.30) | — | |
| SCHEMBL147761 | 0.66 | CES2 (0.31) | — | |
| SCHEMBL17164122 | 0.65 | — | — | |
| SCHEMBL28304141 | 0.64 | PTGS1 (0.31) | — | |
| SCHEMBL12997531 | 0.64 | CES2 (0.35) | — | |
| SCHEMBL17164068 | 0.63 | PTGS1 (0.35) | — | |
| SCHEMBL17164175 | 0.63 | PTGS1 (0.33) | — | |
| SCHEMBL5623059 | 0.62 | PTGS1 (0.31) | — | |
| SCHEMBL18007678 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL7632720 | 0.62 | RAPGEF4 (0.30) | — |
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-2125829-A2 | BICYCLIC OXOMORPHOLINE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008108378-A2 | BICYCLIC OXOMORPHOLINE DERIVATIVE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-09-12 | — | — | WO | disclosed |