⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37901 | 0.98 | — | — | |
| SCHEMBL19006017 | 0.98 | — | — | |
| SCHEMBL21407387 | 0.93 | — | — | |
| SCHEMBL3185704 | 0.92 | — | — | |
| SCHEMBL7078698 | 0.92 | — | — | |
| SCHEMBL6129143 | 0.92 | — | — | |
| SCHEMBL11311461 | 0.92 | — | — | |
| SCHEMBL6907555 | 0.92 | — | — | |
| SCHEMBL5690940 | 0.92 | — | — | |
| SCHEMBL3976666 | 0.88 | TRPA1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1200046-B1 | COSMETICS CONTAINING AMPHOTERIC POLYURETHANES | NAT STARCH CHEM INVEST (US) | 2004-10-27 | — | — | EP | disclosed |