⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1122815 | 0.84 | HSPD1 (0.34) | — | |
| SCHEMBL29139332 | 0.82 | HSPD1 (0.33) | — | |
| SCHEMBL8725998 | 0.73 | ALDH1A1 (0.32) | — | |
| Acetone SCHEMBL27603154 | 0.73 | CYP2C9 (0.33) | — | |
| Phosphine SCHEMBL28175111 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL27606756 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1959317 | 0.71 | MEN1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL27674351 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL17376895 | 0.71 | CA2 (0.31) | — | |
| SCHEMBL7436795 | 0.71 | GRM2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150291567-A1 | TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS | GFBIOCHEMICALS LIMITED (MT) | 2015-10-15 | — | — | US | disclosed |
| US-20140135455-A1 | TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS | SEGETIS, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-8653223-B2 | Transketalized compositions, synthesis, and applications | SEGETIS, INC. (US) | 2014-02-18 | — | — | US | disclosed |
| US-20110082264-A1 | TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS | SEGETIS, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| WO-2009146202-A2 | TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS | SEGETIS, INC. (US) | 2009-12-03 | — | — | WO | disclosed |