⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4739803 | 0.94 | — | — | |
| SCHEMBL4736369 | 0.91 | PIN1 (0.30) | — | |
| SCHEMBL4735029 | 0.91 | NPY5R (0.33) | — | |
| SCHEMBL4736353 | 0.90 | HRH3 (0.32) | — | |
| SCHEMBL4737849 | 0.87 | KDM4E (0.32) | — | |
| SCHEMBL14068758 | 0.87 | — | — | |
| SCHEMBL4737352 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL14068756 | 0.85 | — | — | |
| SCHEMBL4739249 | 0.82 | PIN1 (0.31) | — | |
| SCHEMBL4782354 | 0.81 | KDM4E (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008071765-A1 | PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | claimed |