⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6565451 | 0.91 | — | — | |
| SCHEMBL6561854 | 0.90 | — | — | |
| SCHEMBL6565347 | 0.88 | — | — | |
| SCHEMBL6565418 | 0.87 | MEN1 (0.33) | — | |
| SCHEMBL6563280 | 0.86 | NQO2 (0.35) | — | |
| SCHEMBL6562040 | 0.84 | — | — | |
| SCHEMBL6563351 | 0.83 | — | — | |
| SCHEMBL6563704 | 0.81 | KEAP1 (0.34) | — | |
| SCHEMBL6565383 | 0.81 | AAK1 (0.31) | — | |
| SCHEMBL6561955 | 0.81 | SMN1; SMN2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140802-B1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6479524-B1 | TO PROLONG THE THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-11-12 | — | — | US | disclosed |