⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21840366 | 0.83 | AAK1 (0.31) | — | |
| SCHEMBL21840303 | 0.73 | AAK1 (0.31) | — | |
| SCHEMBL21840309 | 0.71 | THRA (0.35) | — | |
| SCHEMBL31054368 | 0.70 | THRA (0.33) | — | |
| SCHEMBL21840377 | 0.70 | THRA (0.33) | — | |
| SCHEMBL38660709 | 0.70 | THRA (0.33) | — | |
| SCHEMBL21840282 | 0.70 | THRA (0.33) | — | |
| SCHEMBL24565185 | 0.66 | THRA (0.31) | — | |
| SCHEMBL4733734 | 0.65 | EGFR (0.31) | — | |
| SCHEMBL21840289 | 0.65 | LPL (0.31) | — |
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-112839655-A | Thyroid hormone receptor beta agonist compounds | 拓臻股份有限公司 | 2021-05-25 | — | — | CN | disclosed |