⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2319795 | 0.78 | SLC1A3 (0.32) | — | |
| SCHEMBL620951 | 0.78 | — | — | |
| SCHEMBL2322015 | 0.77 | — | — | |
| SCHEMBL993238 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL51201 | 0.74 | FFAR3 (0.41) | — | |
| Isopropyl Alcohol SCHEMBL2156947 | 0.73 | TP53 (0.36) | — | |
| SCHEMBL8618233 | 0.72 | — | — | |
| SCHEMBL104624 | 0.72 | FFAR3 (0.39) | — | |
| SCHEMBL3673385 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL9489101 | 0.72 | FFAR3 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054027-A2 | OXIDATIVE HAIR TREATMENT AGENTS CONTAINING A LITCHI EXTRACT | Henkel AG & Co. KGaA (DE) | 2009-05-06 | — | — | EP | disclosed |
| EP-1996150-A1 | COSMETIC AGENTS COMPRISING PURINE AND/OR PURINE DERIVATIVES I | Henkel AG & Co. KGaA (DE) | 2008-12-03 | — | — | EP | disclosed |
| EP-1996152-A1 | COSMETIC AGENTS CONTAINING PURINE AND/OR PURINE DERIVATIVES III | Henkel AG & Co. KGaA (DE) | 2008-12-03 | — | — | EP | disclosed |
| EP-1996151-A1 | COSMETIC AGENTS COMPRISING PURINE AND/OR PURINE DERATIVES II | Henkel AG & Co. KGaA (DE) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008077687-A2 | OXIDATIVE HAIR TREATMENT AGENTS CONTAINING A LITCHI EXTRACT | HENKEL AG & CO. KGAA (DE) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008049651-A1 | PERFORMANCE-ENHANCED COSMETIC COMPOSITIONS WITH PURINE AND/OR PURINE DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2008-05-02 | — | — | WO | disclosed |
| EP-1865910-A1 | SHAMPOO-COMPOSITIONS MADE FROM CATIONIC SURFACTANTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-12-19 | — | — | EP | disclosed |
| WO-2007101494-A1 | COSMETIC AGENTS CONTAINING PURINE AND/OR PURINE DERIVATIVES III | HENKEL AG & CO. KGAA (DE) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007101493-A1 | COSMETIC AGENTS COMPRISING PURINE AND/OR PURINE DERATIVES II | HENKEL AG & CO. KGAA (DE) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007101492-A1 | COSMETIC AGENTS COMPRISING PURINE AND/OR PURINE DERIVATIVES I | HENKEL AG & CO. KGAA (DE) | 2007-09-13 | — | — | WO | disclosed |
| WO-2006087078-A1 | SHAMPOO-COMPOSITIONS MADE FROM CATIONIC SURFACTANTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-08-24 | — | — | WO | disclosed |