⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47304 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL685726 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL685731 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL686090 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL10281407 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL14883393 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL14883392 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL9609263 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL17248035 | 0.71 | CYP19A1 (0.32) | — | |
| SCHEMBL674145 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3029524-A1 | RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN FORMATION METHOD, POLYMER, AND COMPOUND | JSR Corporation (JP) | 2016-06-08 | — | — | EP | disclosed |