⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9492962 | 0.90 | — | — | |
| SCHEMBL9492956 | 0.90 | — | — | |
| SCHEMBL9493692 | 0.83 | — | — | |
| SCHEMBL9493763 | 0.74 | — | — | |
| SCHEMBL9493766 | 0.74 | — | — | |
| SCHEMBL9492968 | 0.72 | — | — | |
| SCHEMBL9492404 | 0.68 | — | — | |
| SCHEMBL9492399 | 0.68 | — | — | |
| SCHEMBL9495401 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL9495397 | 0.68 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-5177091-A | Rheumatic disorders | CIBA-GEIGY CORPORATION (US) | 1993-01-05 | — | — | US | disclosed |