⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24245237 | 0.89 | TSHR (0.40) | — | |
| SCHEMBL23490567 | 0.89 | TSHR (0.40) | — | |
| SCHEMBL1598088 | 0.84 | — | — | |
| SCHEMBL17431776 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL28340050 | 0.73 | — | — | |
| SCHEMBL2324734 | 0.73 | — | — | |
| SCHEMBL21120513 | 0.72 | TSHR (0.57) | — | |
| SCHEMBL20925040 | 0.70 | TSHR (0.53) | — | |
| SCHEMBL21621450 | 0.67 | — | — | |
| SCHEMBL19881164 | 0.67 | — | — |
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-20200136045-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-04-30 | — | — | US | disclosed |