⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15046469 | 0.96 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL16267849 | 0.93 | — | — | |
| SCHEMBL15046470 | 0.79 | — | — | |
| SCHEMBL17613147 | 0.77 | HRH4 (0.39) | — | |
| SCHEMBL20341874 | 0.70 | CYP3A4 (0.30) | — | |
| SCHEMBL16272643 | 0.68 | KAT2B (0.37) | — | |
| SCHEMBL15046460 | 0.68 | HRH4 (0.31) | — | |
| SCHEMBL3852468 | 0.67 | CYP3A4 (0.39) | — | |
| SCHEMBL14022720 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL38665339 | 0.67 | ALDH1A1 (0.32) | — |
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 5 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 |
| 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 |