⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1324 | 0.80 | NPC1 (0.62) | — | |
| SCHEMBL2004766 | 0.80 | NPC1 (0.52) | — | |
| SCHEMBL10952701 | 0.78 | NPC1 (0.60) | — | |
| SCHEMBL1491811 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3543004 | 0.78 | NPC1 (0.60) | — | |
| Hydrogen Sulfide SCHEMBL28438010 | 0.78 | NPC1 (0.60) | — | |
| SCHEMBL28449908 | 0.78 | NPC1 (0.60) | — | |
| Ammonia Solution, Strong SCHEMBL16266978 | 0.78 | NPC1 (0.60) | — | |
| Bromide SCHEMBL7371333 | 0.78 | NPC1 (0.60) | — | |
| SCHEMBL41312 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2809646-A1 | METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS | Gilead Sciences, Inc. (US) | 2014-12-10 | — | — | EP | disclosed |
| WO-2013116715-A1 | METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS | GILEAD SCIENCES, INC. (US) | 2013-08-08 | — | — | WO | disclosed |
| EP-1636217-B1 | 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2008-09-03 | — | — | EP | disclosed |
| US-7122545-B2 | Imidazo-benzothiazoles | HOFFMANN-LA ROCHE INC. (US) | 2006-10-17 | — | — | US | disclosed |
| EP-1636217-A1 | 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004101558-A1 | 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |
| US-20040229862-A1 | Imidazo-benzothiazoles | F. HOFFMAN-LA ROCHE AG (CH) | 2004-11-18 | — | — | US | disclosed |
| EP-1440973-A2 | Epothilone derivatives, preparation and use | Gesellschaft für biotechnologische Forschung mbH (GBF) (DE) | 2004-07-28 | — | — | EP | disclosed |
| EP-1186606-A1 | Epothilone derivatives, their preparation and utilization | Gesellschaft für biotechnologische Forschung mbH (GBF) (DE) | 2002-03-13 | — | — | EP | disclosed |
| EP-0903348-A1 | Epothilone derivatives, preparation and utilization | Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) | 1999-03-24 | — | — | EP | disclosed |