⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10504338 | 1.00 | TRPA1 (0.41) | — | |
| SCHEMBL6718207 | 1.00 | TRPA1 (0.41) | — | |
| SCHEMBL10503017 | 1.00 | TRPA1 (0.41) | — | |
| SCHEMBL6725219 | 0.97 | — | — | |
| SCHEMBL6729455 | 0.89 | — | — | |
| SCHEMBL1995590 | 0.77 | — | — | |
| SCHEMBL2153675 | 0.76 | — | — | |
| SCHEMBL2155057 | 0.76 | — | — | |
| SCHEMBL7155296 | 0.76 | TRPA1 (0.50) | — | |
| SCHEMBL1676791 | 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 19 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-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 |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| EP-1187819-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| EP-1187820-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| WO-2001000600-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2001000602-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |
| EP-0971904-A1 | NOVEL 1-AMINO-3 BENZYL URACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042682-A1 | NOVEL 1-AMINO-3 BENZYL URACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-01 | — | — | WO | 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 |
| US-4806675-A | CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE | MALLINCKRODT, INC. (US) | 1989-02-21 | — | — | US | disclosed |
| US-4794138-A | STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION | MALLINCKRODT, INC. (US) | 1988-12-27 | — | — | US | disclosed |
| US-4772741-A | STABILIZERS FOR POLYMERS | MILLINCKRODT, INC. (US) | 1988-09-20 | — | — | US | disclosed |
| US-4734519-A | STABILIZERS | MALLINCKRODT, INC. (US) | 1988-03-29 | — | — | US | disclosed |
| EP-0250087-A1 | Pentaerythritol co-esters | MALLINCKRODT, INC. (US) | 1987-12-23 | — | — | EP | disclosed |