⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5461236 | 0.97 | — | — | |
| SCHEMBL21621209 | 0.65 | — | — | |
| SCHEMBL7108884 | 0.63 | — | — | |
| Potassium SCHEMBL30932480 | 0.57 | TSHR (0.36) | — | |
| Mellitic Acid SCHEMBL29638026 | 0.57 | CYP1A2 (0.47) | — | |
| Bicarbonate SCHEMBL29409678 | 0.53 | — | — | |
| Bicarbonate SCHEMBL2275803 | 0.53 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL1124623 | 0.53 | — | — | |
| Mellitic Acid SCHEMBL23507 | 0.52 | CYP1A2 (0.50) | — | |
| SCHEMBL9635649 | 0.52 | CA1 (0.40) | — |
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-117426992-A | Hair treatment method for increasing bond density of damaged hair | 美容与商业股份有限公司 | 2024-01-23 | — | — | CN | disclosed |