⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8864467 | 0.94 | — | — | |
| SCHEMBL8864662 | 0.91 | — | — | |
| SCHEMBL8864440 | 0.89 | — | — | |
| SCHEMBL8864938 | 0.88 | — | — | |
| SCHEMBL8864684 | 0.85 | — | — | |
| SCHEMBL8864629 | 0.85 | — | — | |
| SCHEMBL8864515 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL8864570 | 0.83 | AKR1B10 (0.30) | — | |
| SCHEMBL8864990 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL8864646 | 0.83 | — | — |
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-5633239-A | CARDIOVASCULAR DISORDERS; HYPOGLYCEMIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-27 | — | — | US | disclosed |