⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23989422 | 0.78 | — | — | |
| SCHEMBL22154192 | 0.75 | MPO (0.37) | — | |
| SCHEMBL23989432 | 0.75 | — | — | |
| SCHEMBL23989356 | 0.74 | CNR2 (0.32) | — | |
| SCHEMBL17484922 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL17735704 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL17354795 | 0.71 | CBLB (0.36) | — | |
| SCHEMBL18900795 | 0.71 | CBLB (0.36) | — | |
| SCHEMBL22154190 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL19532972 | 0.70 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8916593-B2 | Alkoxy-substituted 2-aminopyridines as ALK inhibitors | PFIZER INC. (US) | 2014-12-23 | — | — | US | disclosed |
| US-20130196952-A1 | HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES | PFIZER INC. (US) | 2013-08-01 | — | — | US | disclosed |
| US-20100267596-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASE SE (DE) | 2010-10-21 | — | — | US | disclosed |
| EP-2229365-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASF SE (DE) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009077452-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASF SE (DE) | 2009-06-25 | — | — | WO | disclosed |