⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11298588 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL21016180 | 0.82 | — | — | |
| SCHEMBL7822223 | 0.80 | — | — | |
| SCHEMBL21015535 | 0.78 | — | — | |
| SCHEMBL21015567 | 0.78 | — | — | |
| SCHEMBL17662519 | 0.78 | — | — | |
| SCHEMBL4511338 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL1705440 | 0.75 | — | — | |
| SCHEMBL2600024 | 0.75 | — | — | |
| SCHEMBL7953347 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190241605-A1 | HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2019-08-08 | — | — | US | disclosed |
| US-20190151403-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. | 2019-05-23 | — | — | US | disclosed |
| US-20170267685-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-09-21 | — | — | US | disclosed |