⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14775404 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL1707266 | 0.75 | — | — | |
| SCHEMBL5932108 | 0.73 | — | — | |
| SCHEMBL5933283 | 0.73 | — | — | |
| SCHEMBL8630466 | 0.71 | HCAR2 (0.43) | — | |
| SCHEMBL3892870 | 0.71 | — | — | |
| SCHEMBL28167533 | 0.71 | HCAR2 (0.43) | — | |
| SCHEMBL10478967 | 0.71 | — | — | |
| SCHEMBL18697377 | 0.71 | — | — | |
| SCHEMBL5933279 | 0.71 | — | — |
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-20050136180-A1 | Method of coating a substrate with a fluoropolymer | 3M INNOVATIVE PROPERTIES COMPANY | 2005-06-23 | — | — | US | disclosed |