⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL59372 | 0.83 | TSHR (0.52) | — | |
| SCHEMBL26946382 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL26946521 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL1323168 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL24558373 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL26946584 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL26946586 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL4108693 | 0.76 | TSHR (0.52) | — | |
| SCHEMBL17935766 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL26946519 | 0.76 | TSHR (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090023723-A1 | Purinone derivatives for treating neurodegenerative diseases | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2009-01-22 | — | — | US | disclosed |
| EP-1042221-B1 | PROCESS FOR PRODUCTION OF HYDROGEN PEROXIDE | AKZO NOBEL NV (NL) | 2003-05-28 | — | — | EP | disclosed |
| US-6210651-B1 | Process for producing hydrogen peroxide | AKZO NOBEL N.V. (NL) | 2001-04-03 | — | — | US | disclosed |
| EP-1042221-A1 | PROCESS FOR PRODUCTION OF HYDROGEN PEROXIDE | AKZO NOBEL N.V. (NL) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032399-A1 | PROCESS FOR PRODUCTION OF HYDROGEN PEROXIDE | AKZO NOBEL N.V. (NL) | 1999-07-01 | — | — | WO | disclosed |
| EP-0417128-A1 | PHOTOCHROMIC COMPOUND AND ARTICLES CONTAINING THE SAME | PPG INDUSTRIES, INC. (US) | 1991-03-20 | — | — | EP | disclosed |
| WO-1989011482-A1 | PHOTOCHROMIC COMPOUND AND ARTICLES CONTAINING THE SAME | PPG INDUSTRIES, INC. (US) | 1989-11-30 | — | — | WO | disclosed |
| US-4399206-A | Disazo electrophotographic photosensitive member | CANON KABUSHIKI KAISHA (JP) | 1983-08-16 | — | — | US | disclosed |