⚠ 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 | |
|---|---|---|---|---|
| Piconol SCHEMBL29530498 | 0.97 | — | — | |
| Piconol SCHEMBL29266 | 0.97 | — | — | |
| Piconol SCHEMBL31122945 | 0.95 | — | — | |
| Piconol SCHEMBL2647157 | 0.95 | — | — | |
| Piconol SCHEMBL10432457 | 0.95 | HRH1 (0.52) | — | |
| Piconol SCHEMBL3074525 | 0.95 | — | — | |
| Piconol SCHEMBL15050907 | 0.95 | — | — | |
| Piconol SCHEMBL28642302 | 0.95 | HRH1 (0.52) | — | |
| Piconol SCHEMBL7153449 | 0.95 | — | — | |
| Piconol SCHEMBL19874569 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1438890-A | Adenosine receptor modulators | HOFFMANNLA ROCHE AG F (CH) | 2003-08-27 | — | — | CN | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | US | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | WO | disclosed |