⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4412928 | 0.75 | — | — | |
| SCHEMBL2000644 | 0.75 | — | — | |
| SCHEMBL6014767 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL7261531 | 0.70 | — | — | |
| SCHEMBL31266634 | 0.70 | AKR1B1 (0.43) | — | |
| SCHEMBL31266587 | 0.70 | — | — | |
| SCHEMBL3312949 | 0.67 | PTGS2 (0.42) | — | |
| SCHEMBL3813036 | 0.67 | KEAP1 (0.42) | — | |
| SCHEMBL362945 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28633811 | 0.61 | — | — |
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-2245031-B1 | 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS | INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2014-02-26 | — | — | EP | disclosed |
| US-8575182-B2 | 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions | Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) | 2013-11-05 | — | — | US | disclosed |
| US-20110230503-A1 | 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | SZUCOVA LUCIE | 2011-09-22 | — | — | US | disclosed |
| US-7960397-B2 | 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions | INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2011-06-14 | — | — | US | disclosed |
| US-20090170879-A1 | 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | SZUCOVA LUCIE | 2009-07-02 | — | — | US | disclosed |