⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7672420 | 0.99 | — | — | |
| SCHEMBL7809580 | 0.82 | LMNA (0.35) | — | |
| Hydrochloric Acid SCHEMBL7677754 | 0.81 | LMNA (0.34) | — | |
| SCHEMBL7809940 | 0.81 | — | — | |
| SCHEMBL7803210 | 0.74 | KCNH2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7675603 | 0.73 | KCNH2 (0.34) | — | |
| SCHEMBL2924185 | 0.73 | MAPT (0.36) | — | |
| Hydrochloric Acid SCHEMBL5483280 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL7811774 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL8104847 | 0.71 | TSHR (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066281-B1 | CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS | OREAL (FR) | 2001-10-31 | — | — | EP | claimed |
| EP-1066281-A1 | CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS | L'OREAL (FR) | 2001-01-10 | — | — | EP | claimed |
| WO-2000043388-A1 | CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS | L'OREAL (FR) | 2000-07-27 | — | — | WO | claimed |
| EP-1066281-B1 | CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS | OREAL (FR) | 2001-10-31 | — | — | EP | disclosed |
| EP-1066281-A1 | CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS | L'OREAL (FR) | 2001-01-10 | — | — | EP | disclosed |
| WO-2000043388-A1 | CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS | L'OREAL (FR) | 2000-07-27 | — | — | WO | disclosed |