⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22825523 | 0.68 | CRHR1 (0.30) | — | |
| SCHEMBL10029429 | 0.67 | NPC1 (0.34) | — | |
| SCHEMBL17485782 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL12933708 | 0.62 | HRH3 (0.31) | — | |
| SCHEMBL27429848 | 0.62 | — | — | |
| SCHEMBL14409969 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL26575581 | 0.59 | IDH1 (0.37) | — | |
| SCHEMBL2231171 | 0.56 | HRH3 (0.31) | — | |
| SCHEMBL21065371 | 0.55 | KDM4E (0.31) | — | |
| SCHEMBL22825521 | 0.55 | KDM4E (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023144521-A1 | USING HYPERPOLARISED 15N DERIVED SYNTHONS TO CREATE HYPERPHARMACEUTICALS THROUGH SABRE | UNIVERSITY OF YORK (GB) | 2023-08-03 | — | — | WO | disclosed |