⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3787791 | 0.84 | SLC29A1 (0.35) | — | |
| SCHEMBL1032510 | 0.62 | KMT2A (0.60) | — | |
| SCHEMBL6152657 | 0.62 | MAPT (0.50) | — | |
| SCHEMBL11507189 | 0.61 | MAPT (0.55) | — | |
| Ethylene Glycol SCHEMBL3420867 | 0.56 | TRIM24 (0.44) | — | |
| Diethanolamine SCHEMBL23363665 | 0.55 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL5843119 | 0.55 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.55 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.55 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.55 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8202876-B2 | Compounds and compositions as protein kinase inhibitors | IRM LLC (BM) | 2012-06-19 | — | — | US | claimed |
| US-20100029605-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2010-02-04 | — | — | US | claimed |
| CN-101522661-A | Compounds and compositions as protein kinase inhibitors | IRM LLC (VG) | 2009-09-02 | — | — | CN | claimed |
| EP-2057146-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2009-05-13 | — | — | EP | claimed |
| WO-2008042639-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-04-10 | — | — | WO | claimed |
| US-8202876-B2 | Compounds and compositions as protein kinase inhibitors | IRM LLC (BM) | 2012-06-19 | — | — | US | disclosed |
| US-20100029605-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2010-02-04 | — | — | US | disclosed |
| CN-101522661-A | Compounds and compositions as protein kinase inhibitors | IRM LLC (VG) | 2009-09-02 | — | — | CN | disclosed |
| EP-2057146-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008042639-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-04-10 | — | — | WO | disclosed |