⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18940335 | 0.91 | GAA (0.31) | — | |
| SCHEMBL18940329 | 0.82 | TLR8 (0.41) | — | |
| SCHEMBL18940357 | 0.82 | CYP19A1 (0.44) | — | |
| SCHEMBL18940330 | 0.80 | SIGMAR1 (0.33) | — | |
| SCHEMBL18940325 | 0.78 | ACHE (0.43) | — | |
| SCHEMBL18940326 | 0.78 | SIGMAR1 (0.33) | — | |
| SCHEMBL18940346 | 0.77 | ACHE (0.42) | — | |
| SCHEMBL18940344 | 0.77 | NOS3 (0.43) | — | |
| SCHEMBL28861450 | 0.76 | TLR8 (0.40) | — | |
| SCHEMBL18940352 | 0.76 | NLRP3 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10004674-B2 | Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type | HENKEL AG & CO. KGAA (DE) | 2018-06-26 | — | — | US | claimed |
| US-20170165166-A1 | SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE | HENKEL AG & CO. KGAA (DE) | 2017-06-15 | — | — | US | claimed |
| US-10004674-B2 | Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type | HENKEL AG & CO. KGAA (DE) | 2018-06-26 | — | — | US | disclosed |
| US-10004674-B2 | Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type | HENKEL AG & CO. KGAA (DE) | 2018-06-26 | — | — | US | disclosed |
| US-10004674-B2 | Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type | HENKEL AG & CO. KGAA (DE) | 2018-06-26 | — | — | US | disclosed |
| US-20170165166-A1 | SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE | HENKEL AG & CO. KGAA (DE) | 2017-06-15 | — | — | US | disclosed |
| US-20170165166-A1 | SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE | HENKEL AG & CO. KGAA (DE) | 2017-06-15 | — | — | US | disclosed |
| US-20170165166-A1 | SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE | HENKEL AG & CO. KGAA (DE) | 2017-06-15 | — | — | US | disclosed |