⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2057728 | 1.00 | — | — | |
| SCHEMBL2058090 | 1.00 | — | — | |
| SCHEMBL23097083 | 0.94 | KDM4E (0.35) | — | |
| SCHEMBL1418206 | 0.86 | — | — | |
| SCHEMBL13093613 | 0.86 | — | — | |
| SCHEMBL19813207 | 0.74 | KDM4E (0.45) | — | |
| SCHEMBL14196701 | 0.72 | — | — | |
| SCHEMBL14348150 | 0.72 | — | — | |
| SCHEMBL2693954 | 0.72 | — | — | |
| SCHEMBL577023 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130190289-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-25 | — | — | US | disclosed |
| US-20110160303-A1 | N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE | EDWARD TAK WEI | 2011-06-30 | — | — | US | disclosed |
| US-20080227857-A1 | N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use | WEI EDWARD TAK | 2008-09-18 | — | — | US | disclosed |