⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11542044 | 0.67 | ALKBH5 (0.37) | — | |
| SCHEMBL530252 | 0.64 | HTR1A (0.36) | — | |
| SCHEMBL9321634 | 0.63 | ADORA2A (0.37) | — | |
| SCHEMBL29720311 | 0.63 | GRIA1 (0.35) | — | |
| SCHEMBL13346263 | 0.61 | CES1 (0.46) | — | |
| SCHEMBL50865 | 0.58 | MAOA (0.50) | — | |
| SCHEMBL30252635 | 0.58 | MAOA (0.50) | — | |
| SCHEMBL341861 | 0.57 | CYP1A2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL30537100 | 0.56 | MAOA (0.48) | — | |
| Hydrochloric Acid SCHEMBL2710069 | 0.56 | MAOA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1239882-B1 | FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS | GLAXO GROUP LTD (GB) | 2004-09-29 | — | — | EP | claimed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| EP-1239882-B1 | FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS | GLAXO GROUP LTD (GB) | 2004-09-29 | — | — | EP | disclosed |
| US-20030018008-A1 | Formulations of adenosine a1 agonists | BOUNTRA CHARANJIT (GB) | 2003-01-23 | — | — | US | disclosed |
| EP-0851756-B1 | USE OF ONDANSETRON IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TREMOR | GLAXO GROUP LTD (GB) | 2003-01-15 | — | — | EP | disclosed |