⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6856573 | 0.69 | SHBG (0.37) | — | |
| SCHEMBL6856302 | 0.68 | — | — | |
| SCHEMBL19348914 | 0.66 | ALDH1A1 (0.54) | — | |
| SCHEMBL15122542 | 0.64 | L3MBTL1 (0.30) | — | |
| SCHEMBL24787432 | 0.64 | TRPA1 (0.35) | — | |
| SCHEMBL6855916 | 0.64 | SHBG (0.30) | — | |
| SCHEMBL6855549 | 0.64 | SHBG (0.34) | — | |
| SCHEMBL6853904 | 0.63 | SHBG (0.41) | — | |
| SCHEMBL15972258 | 0.63 | TRPM8 (0.43) | — | |
| SCHEMBL1257240 | 0.63 | TSHR (0.50) | — |
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-2011078413-A1 | SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR | 第一三共株式会社 (JP) | 2011-06-30 | — | — | WO | disclosed |