⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105254 | 0.80 | — | — | |
| SCHEMBL3619231 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3617593 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3627050 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL103932 | 0.80 | — | — | |
| SCHEMBL42570 | 0.80 | — | — | |
| SCHEMBL303089 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3620835 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL15373185 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL304423 | 0.80 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082318-A2 | THIACROWN ETHER COMPOUND | BetzDearborn Inc (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062898-A2 | THIACROWN ETHER COMPOUND | BETZDEARBORN INC. (US) | 1999-12-09 | — | — | WO | disclosed |