⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11080078 | 1.00 | — | — | |
| SCHEMBL6435337 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL6432180 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL24768575 | 0.75 | — | — | |
| SCHEMBL16424278 | 0.75 | — | — | |
| SCHEMBL16424277 | 0.75 | — | — | |
| SCHEMBL11331373 | 0.73 | — | — | |
| SCHEMBL11331369 | 0.73 | — | — | |
| SCHEMBL28999196 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL9937730 | 0.71 | — | — |
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-4450149-A | REASCTING AN ORGANIC BORANE WITH A RADIOACTIVE HALOMONOCHLORIDE AND A MILD OXIDIZER; RADIOLOGY | RESEARCH CORPORATION (US) | 1984-05-22 | — | — | US | disclosed |