⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7093146 | 1.00 | — | — | |
| SCHEMBL8503437 | 0.88 | — | — | |
| SCHEMBL7581135 | 0.88 | — | — | |
| SCHEMBL7680321 | 0.85 | — | — | |
| SCHEMBL7680327 | 0.85 | — | — | |
| SCHEMBL8505944 | 0.82 | DRD4 (0.34) | — | |
| SCHEMBL6763775 | 0.82 | LMNA (0.34) | — | |
| SCHEMBL3364797 | 0.82 | LMNA (0.34) | — | |
| SCHEMBL1457093 | 0.82 | LMNA (0.34) | — | |
| SCHEMBL30915237 | 0.82 | LMNA (0.34) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030125325-A1 | Pyrazolyl benzyl thioethers | BAYER AKTIENGESELLSCHAFT (DE) | 2003-07-03 | — | — | US | disclosed |
| EP-1273573-A1 | Pyrazolylbenzylthioethers and their use for combating organisms which are harmful to plants | Bayer CropScience AG (DE) | 2003-01-08 | — | — | EP | disclosed |
| EP-1242414-A1 | PYRAZOLYL BENZYL ETHERS | Bayer Aktiengesellschaft (DE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001044238-A1 | PYRAZOLYL BENZYL ETHERS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | WO | disclosed |
| EP-1071682-A2 | FUNGICIDAL BENZOHETEROCYCLYLOXIME | BAYER AG (DE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046263-A2 | FUNGICIDAL BENZOHETEROCYCLYLOXIME | BAYER AKTIENGESELLSCHAFT (DE) | 1999-09-16 | — | — | WO | disclosed |
| US-5883250-A | ARYL SUBSTITUTED COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-16 | — | — | US | disclosed |
| US-5679676-A | Substituted azadioxacycloalkenes and their use as fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-21 | — | — | US | disclosed |