⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9657695 | 0.88 | CDK1 (0.33) | — | |
| SCHEMBL9656457 | 0.87 | — | — | |
| SCHEMBL9656738 | 0.75 | ADORA2A (0.31) | — | |
| SCHEMBL5066802 | 0.75 | ADORA1 (0.37) | — | |
| SCHEMBL6801342 | 0.73 | L3MBTL1 (0.42) | — | |
| SCHEMBL9656467 | 0.73 | ADORA2A (0.32) | — | |
| SCHEMBL17165345 | 0.73 | HTT (0.41) | — | |
| SCHEMBL8592141 | 0.73 | CYP1A2 (0.44) | — | |
| SCHEMBL215053 | 0.72 | ADORA2A (0.40) | — | |
| SCHEMBL9176115 | 0.72 | GDA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0508777-A2 | Novel adenine derivatives and their use as plant growth regulators | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1992-10-14 | — | — | EP | disclosed |