⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38654742 | 0.78 | — | — | |
| SCHEMBL8439630 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL10045849 | 0.77 | — | — | |
| SCHEMBL10530231 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL36403 | 0.75 | — | — | |
| SCHEMBL311876 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL10530238 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL4869307 | 0.75 | — | — | |
| SCHEMBL4688208 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL10458150 | 0.75 | ALDH1A1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012034091-A1 | IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |
| EP-1536797-B1 | 1-AMIDO-4-PHENYL-4-BENZYLOXYMETHYL-PIPERIDINE DERIVATIVES AND RELATED COMOUNDS AS NEUROKININ-1 (NK-1) ANTAGONSISTS FOR THE TREATMENT OF EMESIS, DEPRESSION, ANXIETY AND COUGH | SCHERING CORP (US) | 2007-04-04 | — | — | EP | disclosed |