⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL87610 | 0.77 | — | — | |
| SCHEMBL6396783 | 0.77 | — | — | |
| SCHEMBL7153578 | 0.70 | — | — | |
| SCHEMBL3437138 | 0.70 | — | — | |
| SCHEMBL3074779 | 0.69 | — | — | |
| SCHEMBL10907102 | 0.68 | — | — | |
| SCHEMBL2790087 | 0.68 | — | — | |
| SCHEMBL9776592 | 0.68 | — | — | |
| SCHEMBL3857657 | 0.68 | ITGB3 (0.33) | — | |
| SCHEMBL938362 | 0.65 | — | — |
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-4171325-A | Chemical process | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-10-16 | — | — | US | disclosed |