⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11537489 | 0.75 | KMT2A (0.32) | — | |
| SCHEMBL11537485 | 0.75 | KMT2A (0.32) | — | |
| SCHEMBL755637 | 0.73 | — | — | |
| SCHEMBL755638 | 0.73 | — | — | |
| SCHEMBL8425276 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL3121422 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL3121426 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL6627005 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL6627009 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL952398 | 0.68 | TBXAS1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6998479-B1 | Derivatives of cyclodextrins | KHOMUTOV ALEXEI | 2006-02-14 | — | — | US | disclosed |
| EP-1090041-A1 | NOVEL DERIVATIVES OF CYCLODEXTRINS | Khomutov, Alexei Radievich (RU) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999045032-A1 | NOVEL DERIVATIVES OF CYCLODEXTRINS | KHOMUTOV ALEXEI RADIEVICH (RU) | 1999-09-10 | — | — | WO | disclosed |