⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24069619 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL24069628 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL25922119 | 0.70 | — | — | |
| SCHEMBL19402460 | 0.67 | — | — | |
| SCHEMBL21553611 | 0.67 | — | — | |
| SCHEMBL19402489 | 0.67 | — | — | |
| SCHEMBL19402459 | 0.67 | — | — | |
| SCHEMBL24215498 | 0.67 | — | — | |
| SCHEMBL24070053 | 0.65 | — | — | |
| SCHEMBL24069454 | 0.65 | — | — |
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-10189871-B2 | Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2019-01-29 | — | — | US | disclosed |
| US-20170044198-A1 | TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2017-02-16 | — | — | US | disclosed |