⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3606331 | 0.80 | HSP90AA1 (0.33) | — | |
| SCHEMBL3600674 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL3616492 | 0.77 | NUDT1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3602164 | 0.75 | KCNJ1 (0.33) | — | |
| SCHEMBL12680701 | 0.69 | GSK3B (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL3597809 | 0.68 | — | — | |
| SCHEMBL3609339 | 0.68 | — | — | |
| SCHEMBL16784780 | 0.66 | NUDT1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL3606356 | 0.66 | HRH4 (0.33) | — | |
| SCHEMBL2932888 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9051323-B2 | Substituted imidazopyrimidines and triazolopyrimidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-06-09 | — | — | US | disclosed |
| US-20130040946-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-14 | — | — | US | disclosed |
| US-8273752-B2 | Substituted imidazopyrimidines and triazolopyrimidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-25 | — | — | US | disclosed |
| EP-2137188-B1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | Bayer Pharma AG (DE) | 2012-06-06 | — | — | EP | disclosed |
| US-20100113441-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-05-06 | — | — | US | disclosed |
| EP-2137188-A2 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008113469-A2 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-09-25 | — | — | WO | disclosed |