⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2961453 | 0.86 | — | — | |
| SCHEMBL277292 | 0.84 | CYP2C19 (0.32) | — | |
| SCHEMBL8050403 | 0.83 | — | — | |
| SCHEMBL31008679 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL7107370 | 0.79 | — | — | |
| SCHEMBL23139671 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL13924449 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL25776480 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL23638799 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL6725019 | 0.76 | — | — |
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 21 patents — showing the first 20. 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-6737544-B1 | HEATING ABOVE MELTING POINT | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | 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 |
| US-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | 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-1218350-A1 | 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| EP-1187819-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2002020531-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |
| EP-1127053-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| US-6225313-B1 | USE AS HERBICIDES AND FOR THE DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-01 | — | — | US | disclosed |
| WO-2001025216-A1 | 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-04-12 | — | — | WO | disclosed |
| WO-2001000602-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2001000600-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |
| WO-2000026194-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-11 | — | — | WO | disclosed |
| CN-1189824-A | 1-amino-3-benzyluracils | BASF AG (DE) | 1998-08-05 | — | — | CN | disclosed |