⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8835602 | 0.88 | CA12 (0.41) | — | |
| SCHEMBL6448546 | 0.75 | — | — | |
| Trientine SCHEMBL5847583 | 0.64 | CA12 (0.61) | — | |
| SCHEMBL7037240 | 0.62 | GRIN2D (0.35) | — | |
| SCHEMBL7644780 | 0.61 | — | — | |
| SCHEMBL3116149 | 0.61 | — | — | |
| SCHEMBL11240387 | 0.61 | OPRL1 (0.30) | — | |
| SCHEMBL14643941 | 0.61 | SMYD3 (0.37) | — | |
| Ethylenediamine SCHEMBL7553690 | 0.60 | — | — | |
| SCHEMBL28860263 | 0.59 | CA12 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214330-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021634-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-29 | — | — | WO | disclosed |