⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6721134 | 0.82 | TSHR (0.36) | — | |
| SCHEMBL6724828 | 0.80 | — | — | |
| SCHEMBL6728516 | 0.78 | — | — | |
| SCHEMBL2779837 | 0.73 | — | — | |
| SCHEMBL3313087 | 0.72 | — | — | |
| SCHEMBL28153590 | 0.72 | — | — | |
| SCHEMBL1508327 | 0.72 | — | — | |
| SCHEMBL13896143 | 0.72 | — | — | |
| SCHEMBL1100183 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL9679319 | 0.71 | TSHR (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| CN-1364161-A | N-substituted perhydrodiazines | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| CN-1362950-A | Substituted ureas | BASF AG (DE) | 2002-08-07 | — | — | CN | disclosed |
| EP-1187820-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| EP-1127053-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2001000602-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2000026194-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-11 | — | — | WO | disclosed |