⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14580381 | 0.71 | — | — | |
| SCHEMBL3572586 | 0.64 | — | — | |
| Water SCHEMBL31307175 | 0.62 | — | — | |
| SCHEMBL16008544 | 0.62 | — | — | |
| SCHEMBL2171972 | 0.61 | — | — | |
| SCHEMBL2172055 | 0.61 | — | — | |
| SCHEMBL21849205 | 0.60 | — | — | |
| SCHEMBL21254107 | 0.57 | — | — | |
| SCHEMBL20600266 | 0.54 | — | — | |
| SCHEMBL6059492 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1562925-B1 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2007-01-03 | — | — | EP | claimed |
| US-8513284-B2 | Fused pyridine and pyrazine derivatives as kinase inhibitors | UCB PHARMA, S.A. (BE) | 2013-08-20 | — | — | US | disclosed |
| US-20120077815-A1 | Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors | UCB PHARMA S.A. (BE) | 2012-03-29 | — | — | US | disclosed |