⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15897575 | 0.50 | — | — | |
| SCHEMBL12570724 | 0.50 | — | — | |
| SCHEMBL7695026 | 0.48 | — | — | |
| SCHEMBL529119 | 0.48 | — | — | |
| SCHEMBL12265283 | 0.46 | — | — | |
| SCHEMBL29744562 | 0.45 | — | — | |
| SCHEMBL10758404 | 0.43 | — | — | |
| SCHEMBL14164523 | 0.41 | — | — | |
| SCHEMBL30107638 | 0.41 | — | — | |
| SCHEMBL21819582 | 0.40 | NSD2 (0.43) | — |
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-2021028346-A1 | TSHR LIGAND BINDING DOMAIN AND METHODS USING SAID DOMAIN | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2021-02-18 | — | — | WO | disclosed |