⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7928068 | 0.76 | — | — | |
| SCHEMBL16819071 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL9122569 | 0.67 | TSHR (0.32) | — | |
| Isopropyl Alcohol SCHEMBL457362 | 0.67 | ALDH1A1 (0.61) | — | |
| SCHEMBL3248772 | 0.67 | — | — | |
| Propylene Glycol SCHEMBL8572846 | 0.65 | TDP1 (0.59) | — | |
| SCHEMBL3888646 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL990395 | 0.64 | — | — | |
| SCHEMBL5274450 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL1778620 | 0.64 | — | — |
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-7517858-B1 | Prodrugs of pharmaceuticals with improved bioavailability | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-04-14 | — | — | US | disclosed |
| EP-0837630-B1 | PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY | HOSTETLER KARL Y (US) | 2007-12-26 | — | — | EP | disclosed |
| EP-0837630-A4 | PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY | UNIV CALIFORNIA (US) | 1998-11-25 | — | — | EP | disclosed |
| EP-0837630-A1 | PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-04-29 | — | — | EP | disclosed |
| WO-1996039831-A1 | PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-12-19 | — | — | WO | disclosed |