⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3176308 | 0.97 | DNM1 (0.31) | — | |
| SCHEMBL15060986 | 0.88 | — | — | |
| SCHEMBL2338664 | 0.88 | — | — | |
| SCHEMBL23713716 | 0.87 | OPRM1 (0.44) | — | |
| SCHEMBL18200180 | 0.87 | OPRM1 (0.44) | — | |
| SCHEMBL25671145 | 0.85 | — | — | |
| SCHEMBL16863783 | 0.81 | ADRB2 (0.41) | — | |
| SCHEMBL31659464 | 0.75 | GPR84 (0.39) | — | |
| SCHEMBL19791122 | 0.74 | IDO1 (0.46) | — | |
| SCHEMBL1767851 | 0.73 | — | — |
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-2780342-B1 | AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO LTD (CN) | 2016-06-01 | — | — | EP | disclosed |
| EP-2186800-A1 | New mandelic acid derivatives and their use as thrombin inhibitors | Astra Zeneca AB (SE) | 2010-05-19 | — | — | EP | disclosed |
| EP-1347955-B1 | NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS | ASTRAZENECA AB (SE) | 2010-03-17 | — | — | EP | disclosed |
| EP-1513807-A1 | PHARMACEUTICAL COMBINATION | AstraZeneca AB (SE) | 2005-03-16 | — | — | EP | disclosed |
| WO-2003101956-A1 | PHARMACEUTICAL COMBINATION | ASTRAZENECA AB (SE) | 2003-12-11 | — | — | WO | disclosed |