⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16272644 | 0.89 | — | — | |
| SCHEMBL16272641 | 0.85 | — | — | |
| SCHEMBL16272640 | 0.82 | SLC18A3 (0.30) | — | |
| SCHEMBL17613150 | 0.78 | HRH4 (0.33) | — | |
| SCHEMBL15046470 | 0.75 | — | — | |
| SCHEMBL15046486 | 0.65 | AXL (0.31) | — | |
| SCHEMBL15046473 | 0.65 | KAT2B (0.31) | — | |
| SCHEMBL15046467 | 0.63 | TLR8 (0.33) | — | |
| SCHEMBL3856669 | 0.63 | SLC18A3 (0.31) | — | |
| SCHEMBL3872535 | 0.61 | CYP3A4 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2790660-B1 | CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | ORÉAL L (FR) | 2016-03-23 | — | — | EP | claimed |
| EP-2790660-B1 | CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | ORÉAL L (FR) | 2016-03-23 | — | — | EP | disclosed |
| EP-2790660-B1 | CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | ORÉAL L (FR) | 2016-03-23 | — | — | EP | disclosed |
| US-9078828-B2 | Cationic tetrahydropyrazolopyridines, dye composition comprising such oxidation bases, implementation process therefor and use thereof | L'OREAL (FR) | 2015-07-14 | — | — | US | disclosed |
| US-20140352715-A1 | CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2014-12-04 | — | — | US | disclosed |
| WO-2013087933-A1 | CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2013-06-20 | — | — | WO | disclosed |