⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10100200 | 1.00 | — | — | |
| SCHEMBL14141026 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL6999340 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL7002845 | 0.72 | — | — | |
| SCHEMBL18935486 | 0.72 | GMNN (0.33) | — | |
| SCHEMBL3729813 | 0.71 | — | — | |
| SCHEMBL22390816 | 0.70 | — | — | |
| SCHEMBL5939938 | 0.70 | LMNA (0.46) | — | |
| SCHEMBL21237668 | 0.70 | — | — | |
| SCHEMBL6996864 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107531672-A | CHEMICAL PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF | 诺华股份有限公司 | 2018-01-02 | — | — | CN | disclosed |
| US-6525000-B1 | N-aminoureas are reacted with formaldehyde to give methyleneimino ureas, cyclizing these to give tetrahydro-4H-1,3,4-oxa(or thia)diazines, and cyclizing the fused triazoles using phosgene; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-25 | — | — | US | disclosed |
| EP-1095045-B1 | METHOD FOR PRODUCING ANELLATED TRIAZOLES AND NEW ANELLATED TRIAZOLES AND THEIR USE | BASF AG (DE) | 2003-01-15 | — | — | EP | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| EP-0835248-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | WO | disclosed |