⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18530024 | 1.00 | — | — | |
| SCHEMBL7152029 | 1.00 | — | — | |
| SCHEMBL7645643 | 1.00 | — | — | |
| SCHEMBL5930486 | 1.00 | — | — | |
| SCHEMBL5930483 | 1.00 | — | — | |
| SCHEMBL24163589 | 1.00 | — | — | |
| SCHEMBL18530027 | 1.00 | — | — | |
| SCHEMBL13679262 | 0.95 | THRB (0.38) | — | |
| SCHEMBL12942488 | 0.82 | THRB (0.32) | — | |
| SCHEMBL18530035 | 0.78 | THRB (0.32) | — |
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-9162999-B2 | Catalytic conversion of cellulose to fuels and chemicals using boronic acids | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2015-10-20 | — | — | US | disclosed |
| US-20140235851-A1 | Chemical Transformation of Lignocellulosic Biomass into Fuels and Chemicals | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-08-21 | — | — | US | disclosed |
| US-20130178617-A1 | CATALYTIC CONVERSION OF CELLULOSE TO FUELS AND CHEMICALS USING BORONIC ACIDS | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2013-07-11 | — | — | US | disclosed |
| US-20130158254-A1 | CHEMICAL TRANSFORMATION OF LIGNOCELLULOSIC BIOMASS INTO FUELS AND CHEMICALS | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2013-06-20 | — | — | US | disclosed |