⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112567 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL16300164 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4662388 | 0.74 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL4316309 | 0.74 | TSHR (0.33) | — | |
| Fluoride SCHEMBL22032650 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL7967795 | 0.73 | — | — | |
| SCHEMBL18523788 | 0.73 | — | — | |
| SCHEMBL20900682 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL22247230 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL16300149 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015153864-A2 | METHODS FOR TREATING INFLAMMATORY CONDITIONS | HOPKINS PATRICIA T (US) | 2015-10-08 | — | — | WO | disclosed |