⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22309515 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL22825521 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL22825416 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL22309516 | 0.68 | — | — | |
| SCHEMBL22309524 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL22825523 | 0.66 | CRHR1 (0.30) | — | |
| SCHEMBL27429848 | 0.64 | — | — | |
| SCHEMBL13038554 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL10029426 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL25934414 | 0.59 | — | — |
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-20220009854-A1 | A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES | UNIVERSITY OF YORK (GB) | 2022-01-13 | — | — | US | disclosed |
| US-20210154333-A1 | POLARISATION TRANSFER VIA A SECOND METAL COMPLEX | UNIVERSITY OF YORK (GB) | 2021-05-27 | — | — | US | disclosed |
| US-20200397923-A1 | HYPERPOLARISATION IN AQUEOUS MEDIA VIA SABRE | UNIVERSITY OF YORK (GB) | 2020-12-24 | — | — | US | disclosed |