⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5155590 | 0.76 | — | — | |
| SCHEMBL1345079 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL17232960 | 0.74 | TP53 (0.31) | — | |
| SCHEMBL28237871 | 0.74 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL525599 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL11876699 | 0.74 | TP53 (0.42) | — | |
| SCHEMBL16063015 | 0.74 | TP53 (0.31) | — | |
| SCHEMBL1892923 | 0.74 | MGAM (0.36) | — | |
| SCHEMBL28433592 | 0.74 | TSHR (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL11133017 | 0.72 | CA2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106714856-B | Composition containing glycosaminoglycan and protein | 尚卓耐斯特公司 | 2020-03-03 | — | — | CN | claimed |
| EP-1177259-B1 | CATIONIC PIGMENTS AND AQUEOUS COMPOSITIONS CONTAINING SAME | CABOT CORP (US) | 2007-10-24 | — | — | EP | claimed |
| US-5531933-A | ZWITTERION SURFACTANT, ALKYL SULFATE SURFACTANT, HYDROPHOBIC SOLVENT, ALKALINE MATERIAL AND COSOLVENT; GLASS CLEANER; GOOD FILMING/STREAKING | THE PROCTER & GAMBLE COMPANY (US) | 1996-07-02 | — | — | US | disclosed |