⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL10658736 | 0.97 | — | — | |
| Biguanide SCHEMBL18255803 | 0.76 | MAPK1 (0.31) | — | |
| Biguanide SCHEMBL8039 | 0.76 | — | — | |
| Dicarbonodithioimidic Diamide SCHEMBL3077015 | 0.76 | — | — | |
| SCHEMBL3178102 | 0.73 | — | — | |
| SCHEMBL3082279 | 0.73 | — | — | |
| Biguanide SCHEMBL5489883 | 0.72 | — | — | |
| Biguanide SCHEMBL675101 | 0.72 | — | — | |
| Biguanide SCHEMBL10881314 | 0.72 | — | — | |
| Biguanide SCHEMBL4221594 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0322335-A1 | New-quanidino-thiazol compounds, their preparation, and use as intermediates of famotidine process | CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) | 1989-06-28 | — | — | EP | claimed |
| EP-0284536-A1 | A process for the preparation of 3-(2-guanidinothiazol-4-yl-methylthio)propionitrile | CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) | 1988-09-28 | — | — | EP | claimed |
| US-20100184851-A1 | INHIBITION OF CELL PROLIFERATION | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-07-22 | — | — | US | disclosed |
| WO-2010025448-A2 | INHIBITION OF CELL PROLIFERATION | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-03-04 | — | — | WO | disclosed |
| EP-0322335-A1 | New-quanidino-thiazol compounds, their preparation, and use as intermediates of famotidine process | CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) | 1989-06-28 | — | — | EP | disclosed |