⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6354994 | 1.00 | — | — | |
| SCHEMBL6355744 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL31682153 | 0.78 | SIGMAR1 (0.37) | — | |
| SCHEMBL31682135 | 0.76 | HMGCR (0.37) | — | |
| SCHEMBL28490680 | 0.74 | SHBG (0.36) | — | |
| SCHEMBL6137537 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL10726493 | 0.71 | SIGMAR1 (0.42) | — | |
| SCHEMBL31682155 | 0.69 | PTPN7 (0.39) | — | |
| SCHEMBL27880906 | 0.68 | EPHX1 (0.34) | — | |
| SCHEMBL5844523 | 0.68 | EPHX1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436252-A4 | HYDROXYFATTYSULFONIC ACID ANALOGS | TAISHO PHARMACEUTICAL CO LTD (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-20050020680-A1 | Hydroxyfattysulfonic acid analogs | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2005-01-27 | — | — | US | disclosed |
| EP-1436252-A1 | HYDROXYFATTYSULFONIC ACID ANALOGS | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024922-A1 | HYDROXYFATTYSULFONIC ACID ANALOGS | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2003-03-27 | — | — | WO | disclosed |