⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20918212 | 0.65 | — | — | |
| SCHEMBL4129819 | 0.61 | — | — | |
| SCHEMBL30281304 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL20610349 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL30281290 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL28147227 | 0.54 | — | — | |
| SCHEMBL27585428 | 0.54 | HSD11B1 (0.30) | — | |
| SCHEMBL28760436 | 0.53 | SRD5A2 (0.30) | — | |
| SCHEMBL12095053 | 0.53 | TSHR (0.32) | — | |
| SCHEMBL701889 | 0.53 | TSHR (0.32) | — |
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-114630822-A | Biaryl dihydroorotate dehydrogenase inhibitors | 詹森生物科技公司 | 2022-06-14 | — | — | CN | disclosed |