⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9213310 | 0.69 | RARB (0.39) | — | |
| SCHEMBL2222649 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL29185785 | 0.67 | RXRA (0.30) | — | |
| SCHEMBL29112049 | 0.64 | UGT2B7 (0.31) | — | |
| SCHEMBL9271635 | 0.64 | RARB (0.45) | — | |
| SCHEMBL5142805 | 0.63 | CYP1A2 (0.37) | — | |
| SCHEMBL28994668 | 0.62 | — | — | |
| SCHEMBL11452873 | 0.62 | CYP1A2 (0.32) | — | |
| SCHEMBL3156466 | 0.61 | RARB (0.43) | — | |
| SCHEMBL2441365 | 0.60 | SRC (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117396590-A | Perfume for improving relaxation state and evaluation method | 奇华顿股份有限公司 | 2024-01-12 | — | — | CN | claimed |
| CN-117396590-A | Perfume for improving relaxation state and evaluation method | 奇华顿股份有限公司 | 2024-01-12 | — | — | CN | disclosed |