⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3478339 | 1.00 | — | — | |
| SCHEMBL6130363 | 1.00 | — | — | |
| SCHEMBL32690230 | 0.97 | — | — | |
| SCHEMBL6103838 | 0.94 | — | — | |
| SCHEMBL7593398 | 0.94 | — | — | |
| SCHEMBL165057 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11566416 | 0.88 | — | — | |
| SCHEMBL5744600 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL4031876 | 0.79 | — | — | |
| SCHEMBL3440551 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214827-A1 | For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide | EURO-CELTIQUE S.A. (US) | 2008-09-04 | — | — | US | disclosed |
| EP-1711484-A4 | SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES | EURO CELTIQUE SA (LU) | 2007-06-20 | — | — | EP | disclosed |
| EP-1711484-A1 | SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES | EURO-CELTIQUE S.A. (LU) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005075459-A1 | SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES | EURO-CELTIQUE S.A. (LU) | 2005-08-18 | — | — | WO | disclosed |