⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13819826 | 0.80 | MEN1 (0.58) | — | |
| SCHEMBL14123857 | 0.80 | — | — | |
| SCHEMBL7143833 | 0.79 | — | — | |
| SCHEMBL6331828 | 0.77 | — | — | |
| SCHEMBL457701 | 0.77 | — | — | |
| SCHEMBL13452139 | 0.76 | — | — | |
| SCHEMBL6367585 | 0.75 | MCL1 (0.41) | — | |
| SCHEMBL18229104 | 0.75 | — | — | |
| SCHEMBL7663597 | 0.75 | — | — | |
| SCHEMBL22104112 | 0.75 | CASP2 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030212120-A1 | Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-13 | — | — | US | disclosed |