⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28354853 | 0.68 | HDAC4 (0.41) | — | |
| SCHEMBL4451679 | 0.68 | HDAC4 (0.41) | — | |
| SCHEMBL9458297 | 0.66 | APP (0.33) | — | |
| SCHEMBL6517881 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL8626071 | 0.65 | L3MBTL1 (0.36) | — | |
| SCHEMBL11438176 | 0.65 | — | — | |
| SCHEMBL2783202 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL9029796 | 0.65 | HSD11B1 (0.38) | — | |
| SCHEMBL27678772 | 0.64 | — | — | |
| SCHEMBL29628620 | 0.62 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20200330949-A1 | Capsules | THE PROCTER & GAMBLE COMPANY | 2020-10-22 | — | — | US | disclosed |