⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9864111 | 0.72 | — | — | |
| SCHEMBL8490533 | 0.71 | FUCA1 (0.34) | — | |
| SCHEMBL22203356 | 0.67 | — | — | |
| SCHEMBL7420746 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL15763300 | 0.66 | MAPT (0.34) | — | |
| SCHEMBL15298399 | 0.66 | CA12 (0.34) | — | |
| SCHEMBL14015899 | 0.65 | FUCA1 (0.36) | — | |
| SCHEMBL4546265 | 0.65 | FUCA1 (0.36) | — | |
| SCHEMBL5161451 | 0.65 | — | — | |
| SCHEMBL11981200 | 0.65 | FUCA1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990313-A | A TWO-STEP PROCESS OF REACTING 2,3-DIHYDROFURAN WITH AN ACETAL TO FORM AN INTERMEDIATE, THEN CATALYTIC CONVERTING WITH HYDROGEN; THE PRODUCT USE AS INDUSTRIAL SOLVENTS AND AS MONOMERS IN THE MANUFACTURE OF POLYMERS SUCH AS ELASTOMERS | EASTMAN CHEMICAL COMPANY (US) | 1999-11-23 | — | — | US | disclosed |
| US-5856527-A | REACTING 2,3-DIHYDROFURAN WITH AN ACETAL IN PRESENCE OF ACID CATALYST TO FORM AN ALKOXYLATED TETERAHYDROFURAN INTERMEDIATE, HYDROGENATING THE INTERMEDIATE WITH HYDROGEN AND GROUP 8 METAL CATALYST OR RHENIUM, WATER AND STRONG ACID | EASTMAN CHEMICAL COMPANY (US) | 1999-01-05 | — | — | US | disclosed |