⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13667838 | 0.76 | — | — | |
| SCHEMBL2141861 | 0.74 | MIF (0.77) | — | |
| SCHEMBL2945836 | 0.71 | — | — | |
| SCHEMBL22363448 | 0.71 | — | — | |
| SCHEMBL13623244 | 0.69 | MIF (0.61) | — | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.69 | MIF (1.00) | — | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.69 | MIF (1.00) | — | |
| SCHEMBL8763362 | 0.69 | MIF (0.68) | — | |
| SCHEMBL13913441 | 0.68 | FAAH (0.34) | — | |
| SCHEMBL454511 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090270372-A1 | NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS | SOCIETE DE CONSEILS DE RECHERCHES ET (FR) | 2009-10-29 | — | — | US | disclosed |
| EP-0944594-A4 | INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA | LILLY CO ELI (US) | 2000-05-03 | — | — | EP | disclosed |
| EP-0944594-A1 | INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA | ELI LILLY AND COMPANY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025895-A1 | INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA | ELI LILLY AND COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |
| US-5505931-A | ISOTHIOCYANATE CONTAINING ANHYDRIDE COMPOUNDS; USEFUL FOR CONTROLLED RELEASE OF NUCLEOPHILIC GROUP OF DIAGNOSTIC OR THERAPEUTIC AGENT | THE DOW CHEMICAL COMPANY (US) | 1996-04-09 | — | — | US | disclosed |
| EP-0687261-A1 | ACID CLEAVABLE COMPOUNDS, THEIR PREPARATION AND USE AS BIFUNCTIONAL ACID-LABILE CROSSLINKING AGENTS | DENDRITECH, INC. (US) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994020487-A1 | ACID CLEAVABLE COMPOUNDS, THEIR PREPARATION AND USE AS BIFUNCTIONAL ACID-LABILE CROSSLINKING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1994-09-15 | — | — | WO | disclosed |