⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7468612 | 0.78 | — | — | |
| SCHEMBL7022235 | 0.75 | CYP3A4 (0.33) | — | |
| SCHEMBL7420586 | 0.74 | CA1 (0.37) | — | |
| SCHEMBL3360879 | 0.73 | CYP3A4 (0.42) | — | |
| SCHEMBL7416108 | 0.72 | CA1 (0.39) | — | |
| SCHEMBL7419364 | 0.68 | CYP3A4 (0.37) | — | |
| SCHEMBL29018648 | 0.65 | CA1 (0.43) | — | |
| SCHEMBL1356898 | 0.62 | — | — | |
| SCHEMBL8978426 | 0.62 | CYP3A4 (0.40) | — | |
| SCHEMBL2759867 | 0.62 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1315733-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-04 | — | — | EP | disclosed |
| EP-1311469-A1 | METHOD FOR PRODUCING BETA- KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-21 | — | — | EP | disclosed |
| EP-1237879-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1187820-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | 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 |
| WO-2002016305-A1 | METHOD FOR PRODUCING β KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-28 | — | — | WO | disclosed |
| WO-2001044204-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | 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 |