⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2174351 | 0.61 | — | — | |
| SCHEMBL21267039 | 0.59 | — | — | |
| SCHEMBL6622792 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL18704857 | 0.55 | HTR2C (0.36) | — | |
| Hydrochloric Acid SCHEMBL21814117 | 0.55 | HTR2C (0.36) | — | |
| SCHEMBL17936973 | 0.55 | — | — | |
| SCHEMBL6625068 | 0.51 | — | — | |
| Water SCHEMBL31307175 | 0.50 | — | — | |
| SCHEMBL5241396 | 0.41 | — | — | |
| SCHEMBL75323 | 0.39 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0923929-B1 | KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS OXIDATION AGENTS, AND DYEING METHOD; PYRAZOLOAZOLES | OREAL (FR) | 2004-05-12 | — | — | EP | claimed |
| EP-0891181-B1 | KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD | OREAL (FR) | 2003-05-14 | — | — | EP | claimed |