⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6563521 | 0.90 | — | — | |
| SCHEMBL6565320 | 0.89 | — | — | |
| SCHEMBL6565317 | 0.89 | ITGB3 (0.33) | — | |
| SCHEMBL6563248 | 0.85 | SENP1 (0.31) | — | |
| SCHEMBL6563636 | 0.81 | MAPT (0.31) | — | |
| SCHEMBL6561937 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL7677060 | 0.79 | ITGB3 (0.32) | — | |
| SCHEMBL6565226 | 0.77 | ITGB3 (0.34) | — | |
| SCHEMBL6565387 | 0.76 | ITGB3 (0.35) | — | |
| SCHEMBL6563320 | 0.75 | AAK1 (0.30) | — |
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 |