⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2839324 | 0.96 | — | — | |
| SCHEMBL2832799 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL2833635 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL2832093 | 0.87 | CASP3 (0.33) | — | |
| SCHEMBL2832185 | 0.87 | — | — | |
| SCHEMBL2839674 | 0.86 | CASP3 (0.31) | — | |
| SCHEMBL2839331 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL2832177 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL2833634 | 0.85 | OPRM1 (0.33) | — | |
| SCHEMBL2839328 | 0.84 | OPRM1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | claimed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | claimed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |