⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1849901 | 0.91 | — | — | |
| SCHEMBL1429574 | 0.80 | — | — | |
| SCHEMBL10577984 | 0.73 | — | — | |
| SCHEMBL29144581 | 0.73 | — | — | |
| SCHEMBL10575997 | 0.71 | — | — | |
| SCHEMBL28927846 | 0.71 | — | — | |
| SCHEMBL4661101 | 0.71 | — | — | |
| SCHEMBL10536725 | 0.69 | — | — | |
| SCHEMBL9477732 | 0.69 | — | — | |
| SCHEMBL7524533 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2324025-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | Smithkline Beecham Corporation (US) | 2011-05-25 | — | — | EP | disclosed |
| EP-2324026-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | Smithkline Beecham Corporation (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010018131-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | disclosed |
| WO-2010018133-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | disclosed |
| EP-1240132-B1 | ADAMANTANE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-07 | — | — | EP | disclosed |
| EP-0912533-A1 | ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997043271-A1 | ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-11-20 | — | — | WO | disclosed |
| EP-0071683-A1 | Thiolcarbamate compounds and their use as herbicides | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1983-02-16 | — | — | EP | disclosed |