⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7506362 | 0.88 | PTGS2 (0.30) | — | |
| SCHEMBL9530417 | 0.85 | RORC (0.31) | — | |
| SCHEMBL9533344 | 0.85 | SLC34A1 (0.30) | — | |
| SCHEMBL27343880 | 0.85 | — | — | |
| SCHEMBL9530479 | 0.84 | — | — | |
| SCHEMBL9530563 | 0.82 | PTGS2 (0.39) | — | |
| SCHEMBL9696200 | 0.81 | BRD9 (0.30) | — | |
| SCHEMBL9529718 | 0.81 | PTGS2 (0.32) | — | |
| SCHEMBL7972198 | 0.81 | NTRK1 (0.34) | — | |
| SCHEMBL7590435 | 0.81 | LMNA (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060148649-A1 | Substituted n-aryl nitrogen heterocycles | BAYER CROPSCIENCE GMBH PATENTS AND LICENSING (DE) | 2006-07-06 | — | — | US | disclosed |
| EP-1599465-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES | Bayer CropScience AG (DE) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004074274-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-09-02 | — | — | WO | disclosed |
| EP-0944623-B1 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AG (DE) | 2004-09-01 | — | — | EP | disclosed |
| CN-1145626-C | Substituted pyrazole-3-yl benzazoles | �����ɷ� | 2004-04-14 | — | — | CN | disclosed |
| US-6232470-B1 | AGRICULTURE | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-15 | — | — | US | disclosed |
| CN-1244865-A | Substituted pyrazole-3-yl benzazoles | BASF AK (DE) | 2000-02-16 | — | — | CN | disclosed |
| EP-0944623-A2 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998027090-A2 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-25 | — | — | WO | disclosed |
| EP-0542872-A1 | HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES | MONSANTO COMPANY (US) | 1993-05-26 | — | — | EP | disclosed |
| WO-1992002509-A1 | HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES | MONSANTO COMPANY (US) | 1992-02-20 | — | — | WO | disclosed |