⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11208891 | 0.97 | — | — | |
| SCHEMBL7141375 | 0.81 | — | — | |
| SCHEMBL5686826 | 0.81 | — | — | |
| SCHEMBL277863 | 0.78 | — | — | |
| Water SCHEMBL11312398 | 0.78 | — | — | |
| Benzene SCHEMBL10352412 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL18388025 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL363785 | 0.69 | — | — | |
| SCHEMBL10440719 | 0.69 | — | — | |
| SCHEMBL11575083 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005061507-A1 | BICYCLIC PYRAZOL-4-ONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | PFIZER PRODUCTS INC. (US) | 2005-07-07 | — | — | WO | disclosed |