⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2892800 | 0.79 | — | — | |
| SCHEMBL8091844 | 0.76 | MIF (0.59) | — | |
| SCHEMBL13667837 | 0.76 | — | — | |
| SCHEMBL3156494 | 0.75 | TAAR1 (0.50) | — | |
| SCHEMBL2141861 | 0.74 | MIF (0.77) | — | |
| SCHEMBL13623244 | 0.69 | MIF (0.61) | — | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.69 | MIF (1.00) | — | |
| SCHEMBL8763362 | 0.69 | MIF (0.68) | — | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.69 | MIF (1.00) | — | |
| SCHEMBL330596 | 0.68 | MIF (0.61) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101115748-B | Acetamide compounds as fungicides | SYNGENTA PARTICIPATIONS AG | 2011-06-08 | — | — | CN | disclosed |
| 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 |
| CN-101115748-A | Acetamide compounds as fungicides | SYNGENTA PARTICIPATIONS AG (CH) | 2008-01-30 | — | — | CN | disclosed |
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |