⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24520040 | 0.86 | TSHR (0.56) | — | |
| SCHEMBL241373 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL11472593 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL16995565 | 0.83 | TSHR (0.52) | — | |
| SCHEMBL7054611 | 0.82 | — | — | |
| SCHEMBL10959162 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL5932102 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL19190226 | 0.81 | TSHR (0.50) | — | |
| SCHEMBL27704319 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL15788000 | 0.79 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230020952-A1 | MACROCYCLES COMPRISING A 4-AMIDO-2,4-PENTADIENOATE MOIETY FOR THE TREATMENT OF HYPOXIC CANCERS | AARHUS UNIVERSITET (DK) | 2023-01-19 | — | — | US | disclosed |