⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL204034 | 0.86 | TSHR (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL21828798 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL20211370 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL29674430 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL10169834 | 0.79 | — | — | |
| SCHEMBL24487862 | 0.78 | — | — | |
| SCHEMBL30389839 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL22765087 | 0.77 | — | — | |
| SCHEMBL12134556 | 0.77 | — | — | |
| SCHEMBL19841301 | 0.76 | — | — |
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-20190112328-A1 | DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS | NIMBLEGEN SYSTEMS GMBH (DE) | 2019-04-18 | — | — | US | disclosed |