⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22174721 | 0.94 | — | — | |
| SCHEMBL21693889 | 0.91 | — | — | |
| SCHEMBL20348570 | 0.87 | — | — | |
| SCHEMBL25463543 | 0.78 | ADH1B (0.34) | — | |
| SCHEMBL15220287 | 0.75 | — | — | |
| SCHEMBL12333361 | 0.75 | ADH1B (0.38) | — | |
| SCHEMBL23875823 | 0.75 | ADH1B (0.38) | — | |
| SCHEMBL23555441 | 0.73 | — | — | |
| SCHEMBL30042415 | 0.73 | — | — | |
| SCHEMBL24290438 | 0.69 | — | — |
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-10329259-B2 | Pyrazole derivatives and their use as cannabinoid receptor mediators | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2019-06-25 | — | — | US | disclosed |
| US-20180179163-A1 | PYRAZOLE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MEDIATORS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2018-06-28 | — | — | US | disclosed |