⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3606356 | 0.93 | HRH4 (0.33) | — | |
| SCHEMBL2932888 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2926717 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL3149138 | 0.56 | HRH4 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL10619788 | 0.56 | HRH4 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL18092631 | 0.56 | HRH4 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL7737453 | 0.54 | MEN1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL2208820 | 0.54 | CA5A (0.50) | — | |
| Trifluoroacetic Acid SCHEMBL11052838 | 0.54 | HRH4 (0.40) | — | |
| 4-Nitroaniline SCHEMBL29504091 | 0.54 | ALDH1A1 (0.67) | — |
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 |