⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL113233 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30675666 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL16191762 | 0.87 | TSHR (0.56) | — | |
| SCHEMBL36670 | 0.83 | TSHR (0.59) | — | |
| SCHEMBL28784249 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL28876509 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL6726188 | 0.80 | TSHR (0.56) | — | |
| SCHEMBL6729295 | 0.80 | TSHR (0.56) | — | |
| Hydrochloric Acid SCHEMBL15092480 | 0.80 | TSHR (0.56) | — | |
| Water SCHEMBL27755453 | 0.80 | TSHR (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105612144-A | Method for preparing template agent | JOHNSON MATTHEY PLC | 2016-05-25 | — | — | CN | disclosed |