⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3284375 | 0.73 | — | — | |
| SCHEMBL278363 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4556835 | 0.71 | — | — | |
| SCHEMBL3063476 | 0.69 | — | — | |
| SCHEMBL18786200 | 0.69 | — | — | |
| SCHEMBL2385713 | 0.69 | — | — | |
| SCHEMBL2843474 | 0.69 | — | — | |
| SCHEMBL10769013 | 0.69 | — | — | |
| Water SCHEMBL10771170 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL997328 | 0.67 | — | — |
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-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | claimed |
| EP-1953162-B9 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-10-31 | — | — | EP | claimed |
| EP-1953162-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-06-20 | — | — | EP | claimed |
| EP-1757606-B1 | Xanthinderivatives for use as medical agents and the preparation thereof | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-05-06 | — | — | EP | claimed |
| EP-1368349-B1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2007-02-14 | — | — | EP | claimed |