⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8553294 | 0.88 | S1PR4 (0.33) | — | |
| SCHEMBL8552372 | 0.87 | PTGS2 (0.36) | — | |
| SCHEMBL8552692 | 0.87 | TDP1 (0.36) | — | |
| SCHEMBL8551645 | 0.83 | — | — | |
| SCHEMBL8550152 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL8551852 | 0.75 | NCF1 (0.33) | — | |
| SCHEMBL8547164 | 0.73 | TDP1 (0.38) | — | |
| SCHEMBL8551375 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL8551649 | 0.72 | — | — | |
| SCHEMBL8552061 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5708013-A | BENZIMIDAZOLESULFOXIDE DERIVATIVES | EISAI CO., LTD. (JP) | 1998-01-13 | — | — | US | disclosed |