⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16449695 | 0.71 | DRD2 (0.32) | — | |
| SCHEMBL16449685 | 0.71 | HTR1A (0.32) | — | |
| SCHEMBL14652965 | 0.71 | HTR1A (0.32) | — | |
| SCHEMBL16449693 | 0.71 | DRD2 (0.32) | — | |
| SCHEMBL14271036 | 0.71 | HTR1A (0.32) | — | |
| SCHEMBL13756968 | 0.62 | GRM5 (0.37) | — | |
| SCHEMBL13681631 | 0.61 | GRM5 (0.39) | — | |
| SCHEMBL12661284 | 0.59 | PKM (0.39) | — | |
| SCHEMBL13681599 | 0.58 | GRM5 (0.36) | — | |
| SCHEMBL13843511 | 0.56 | GRM5 (0.42) | — |
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-20150045556-A1 | PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO | DOLLE ROLAND E (US) | 2015-02-12 | — | — | US | disclosed |