⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11128751 | 0.80 | EPHX1 (0.47) | — | |
| SCHEMBL2820709 | 0.80 | EPHX1 (0.57) | — | |
| SCHEMBL6729363 | 0.79 | ALDH1A1 (0.59) | — | |
| SCHEMBL23504 | 0.78 | — | — | |
| SCHEMBL6720557 | 0.78 | HPGD (0.35) | — | |
| SCHEMBL8155896 | 0.78 | — | — | |
| SCHEMBL12591338 | 0.76 | EPHX1 (0.44) | — | |
| SCHEMBL729760 | 0.76 | — | — | |
| SCHEMBL21112317 | 0.76 | — | — | |
| SCHEMBL10312398 | 0.76 | HPGD (0.52) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| 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-1315733-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-04 | — | — | 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 |
| WO-2002020531-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |
| US-20010031865-A1 | Substituted 3-phenyluracils | KLINTZ RALF (DE) | 2001-10-18 | — | — | US | disclosed |
| US-6239074-B1 | HERBICIDES, INSECTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-29 | — | — | US | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| EP-0604491-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993006090-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-01 | — | — | WO | disclosed |