⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12371255 | 1.00 | — | — | |
| SCHEMBL2509780 | 0.87 | TSHR (0.44) | — | |
| SCHEMBL9762 | 0.80 | — | — | |
| SCHEMBL3807883 | 0.80 | — | — | |
| SCHEMBL3810461 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11299132 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11300796 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11312698 | 0.78 | — | — | |
| SCHEMBL12847870 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL12790353 | 0.71 | TSHR (0.41) | — |
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-20110052673-A1 | THERAPEUTIC COMPOSITIONS | SHIRE HUMAN GENETIC THERAPIES, INC. | 2011-03-03 | — | — | US | disclosed |