⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2282302 | 0.70 | — | — | |
| SCHEMBL6550306 | 0.52 | — | — | |
| SCHEMBL17534214 | 0.51 | — | — | |
| SCHEMBL31229285 | 0.51 | — | — | |
| SCHEMBL31490275 | 0.48 | — | — | |
| SCHEMBL31414021 | 0.48 | — | — | |
| SCHEMBL7458823 | 0.47 | — | — | |
| SCHEMBL10031753 | 0.46 | — | — | |
| SCHEMBL10647164 | 0.46 | — | — | |
| SCHEMBL28397048 | 0.46 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6566538-B1 | Preparation of 5-(aryloxymethyl)-g-butyrolactone derivatives | MILLENNIUM PHARMACEUTICALS, INC. | 2003-05-20 | — | — | US | disclosed |
| US-6541647-B2 | Active materials; drugs; antiinflammatory agents; antiallergens | MILLENNIUM PHARMACEUTICALS, INC. | 2003-04-01 | — | — | US | disclosed |
| US-20020035278-A1 | Methods for synthesis of substituted tetrahydrofuran compound | MILLENNIUM PHARMACEUTICALS, INC. | 2002-03-21 | — | — | US | disclosed |
| US-6310221-B1 | PREPARING A 4-FLUOROPHENOXYMETHYL-(HYDROXY)-TETRAHYDROFURAN BY REACTING 4-FLUOROPHENOL AND AN EPOXY COMPOUND; REACTING THE EPOXY-PHENYL ETHER WITH AN ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; AND REDUCING THE LACTONE | MILLENNIUM PHARMACEUTICALS, INC. | 2001-10-30 | — | — | US | disclosed |