⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5304490 | 1.00 | — | — | |
| SCHEMBL5304496 | 1.00 | — | — | |
| SCHEMBL4400603 | 1.00 | — | — | |
| SCHEMBL3495284 | 0.95 | — | — | |
| SCHEMBL5308073 | 0.86 | — | — | |
| SCHEMBL6955775 | 0.86 | DNM1 (0.53) | — | |
| SCHEMBL654031 | 0.86 | — | — | |
| SCHEMBL6609179 | 0.86 | — | — | |
| SCHEMBL16972723 | 0.83 | — | — | |
| SCHEMBL4754025 | 0.83 | TSHR (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007028849-A1 | PYRAZOLECARBOXAMIDE DERIVATIVES, METHOD OF OBTAINING SAME AND USE THEREOF AS INVERSE ANTAGONISTS/AGONISTS OF THE CANNABINOID CB1 AND OPIOID MU RECEPTOR | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2007-03-15 | — | — | WO | disclosed |
| US-4333868-A | Phosphite ester stabilizers | CIBA-GEIGY CORPORATION (US) | 1982-06-08 | — | — | US | disclosed |
| US-4132702-A | Phenol esters and amides and polymers stabilized therewith | CIBA-GEIGY CORPORATION (US) | 1979-01-02 | — | — | US | disclosed |