⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7318006 | 0.89 | HTT (0.36) | — | |
| SCHEMBL11078950 | 0.75 | — | — | |
| SCHEMBL31074878 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL9843267 | 0.66 | TYMP (0.36) | — | |
| SCHEMBL9388000 | 0.62 | TYMP (0.32) | — | |
| SCHEMBL5174201 | 0.59 | HTT (0.36) | — | |
| SCHEMBL31074881 | 0.59 | — | — | |
| SCHEMBL7403408 | 0.59 | TYMP (0.34) | — | |
| SCHEMBL7617986 | 0.59 | TYMP (0.36) | — | |
| SCHEMBL11315769 | 0.57 | ALDH1A1 (0.50) | — |
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-5350753-A | Treatment of bacterial infectious diseases and septic shock | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-09-27 | — | — | US | claimed |