⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11849806 | 0.71 | — | — | |
| SCHEMBL28477387 | 0.67 | — | — | |
| SCHEMBL3849788 | 0.66 | — | — | |
| SCHEMBL10352428 | 0.66 | SLC6A2 (0.35) | — | |
| SCHEMBL10496984 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL2353186 | 0.62 | — | — | |
| SCHEMBL28902605 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL125358 | 0.61 | — | — | |
| SCHEMBL10836507 | 0.60 | ESR1 (0.45) | — | |
| SCHEMBL1815617 | 0.59 | — | — |
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-107820494-B | Nuclear receptor modulators | 艾伯维公司 | 2020-10-16 | — | — | CN | disclosed |