⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5945039 | 0.81 | THRB (0.41) | — | |
| SCHEMBL51524 | 0.73 | — | — | |
| SCHEMBL4395034 | 0.71 | — | — | |
| SCHEMBL22237983 | 0.65 | — | — | |
| SCHEMBL11302333 | 0.65 | — | — | |
| SCHEMBL10045683 | 0.65 | — | — | |
| SCHEMBL13038050 | 0.65 | THRB (0.30) | — | |
| SCHEMBL10186511 | 0.64 | — | — | |
| SCHEMBL183086 | 0.64 | — | — | |
| SCHEMBL6752631 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11780787-B2 | Method for conversion of diols to olefin products | UT-BATTELLE, LLC (US) | 2023-10-10 | — | — | US | disclosed |
| US-20230242464-A1 | METHOD FOR CONVERSION OF DIOLS TO OLEFIN PRODUCTS | UT BATTELLE LLC (US) | 2023-08-03 | — | — | US | disclosed |
| US-20210107886-A1 | PREPARATION OF CYCLIC ACETALS FOR FUEL | U.S. DEPARTMENT OF ENERGY | 2021-04-15 | — | — | US | disclosed |
| US-20210107886-A1 | PREPARATION OF CYCLIC ACETALS FOR FUEL | U.S. DEPARTMENT OF ENERGY | 2021-04-15 | — | — | US | disclosed |
| US-8114813-B2 | Heat transferrable dye in resin containing polyvinyl acetal modified with ketone | FUJIFILM CORPORATION (JP) | 2012-02-14 | — | — | US | disclosed |
| US-20080242540-A1 | THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD | FUJIFILM CORPORATION (JP) | 2008-10-02 | — | — | US | disclosed |