⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6801405 | 1.00 | — | — | |
| SCHEMBL3692715 | 0.78 | — | — | |
| SCHEMBL5319049 | 0.75 | — | — | |
| SCHEMBL5320865 | 0.75 | — | — | |
| SCHEMBL251289 | 0.72 | — | — | |
| SCHEMBL263323 | 0.72 | — | — | |
| SCHEMBL26535 | 0.72 | — | — | |
| SCHEMBL1578643 | 0.72 | — | — | |
| SCHEMBL20299109 | 0.69 | — | — | |
| SCHEMBL4581876 | 0.69 | — | — |
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-5284834-A | Coronary vasodilation | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-02-08 | — | — | US | claimed |
| US-5248770-A | Labels such as fluorescent or radioactive compounds | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1993-09-28 | — | — | US | claimed |
| US-20100144651-A1 | NOVEL GLUCOPYRANOSE ESTERS AND GLUCOFURANOSE ESTERS OF ALKYL- FUMARATES AND THEIR PHARMACEUTICAL USE | ADITECH PHARMA AB (SE) | 2010-06-10 | — | — | US | disclosed |
| US-5248770-A | Labels such as fluorescent or radioactive compounds | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1993-09-28 | — | — | US | disclosed |
| US-4039502-A | DOPES, SULFURIC ACID, FLUOROSULFONIC ACID | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1977-08-02 | — | — | US | disclosed |
| US-3966656-A | FIBER AND FILM FORMING | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-06-29 | — | — | US | disclosed |