⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2264535 | 0.71 | CYP1A2 (0.36) | — | |
| SCHEMBL2968035 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL7435648 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL4467536 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL65944 | 0.62 | GPR3 (0.40) | — | |
| SCHEMBL15352116 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL10796479 | 0.58 | ALDH1A1 (0.37) | — | |
| SCHEMBL1976862 | 0.58 | — | — | |
| SCHEMBL1587229 | 0.58 | ALDH1A1 (0.37) | — | |
| SCHEMBL7668833 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7521454-B2 | Adenine derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-04-21 | — | — | US | disclosed |
| EP-1386923-B1 | NOVEL ADENINE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-20070037832-A1 | 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-02-15 | — | — | US | disclosed |
| US-7157465-B2 | Adenine derivatives | DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) | 2007-01-02 | — | — | US | disclosed |
| US-20040132748-A1 | Novel adenne derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2004-07-08 | — | — | US | disclosed |
| EP-1386923-A1 | NOVEL ADENINE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |