⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6718314 | 0.95 | — | — | |
| SCHEMBL6724628 | 0.92 | CA1 (0.41) | — | |
| SCHEMBL9469657 | 0.92 | CA1 (0.41) | — | |
| SCHEMBL6722109 | 0.83 | — | — | |
| SCHEMBL309203 | 0.78 | — | — | |
| SCHEMBL309262 | 0.76 | CA1 (0.40) | — | |
| SCHEMBL309211 | 0.76 | — | — | |
| SCHEMBL21314157 | 0.76 | — | — | |
| SCHEMBL8070734 | 0.76 | CA1 (0.40) | — | |
| SCHEMBL23406865 | 0.74 | ADRB2 (0.38) | — |
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 5 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 |
| EP-1127053-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000026194-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-11 | — | — | WO | disclosed |