⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7859416 | 0.79 | HCAR2 (0.45) | — | |
| SCHEMBL3635013 | 0.78 | HCAR2 (0.43) | — | |
| SCHEMBL265470 | 0.77 | HCAR2 (0.50) | — | |
| SCHEMBL129162 | 0.74 | — | — | |
| SCHEMBL26129234 | 0.73 | TDP1 (0.41) | — | |
| SCHEMBL34468186 | 0.73 | HCAR2 (0.44) | — | |
| SCHEMBL27612905 | 0.72 | — | — | |
| SCHEMBL754344 | 0.72 | — | — | |
| SCHEMBL3163876 | 0.71 | TSHR (0.45) | — | |
| SCHEMBL2584566 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | disclosed |
| US-6706748-B2 | USE AS MICROBICIDES | NIHON BAYER AGROCHEM, K.K. (JP) | 2004-03-16 | — | — | US | disclosed |
| US-20030220197-A1 | Isothiazole derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 2003-11-27 | — | — | US | disclosed |
| EP-1284970-A2 | ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2003-02-26 | — | — | EP | disclosed |
| WO-2001077090-A2 | ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-10-18 | — | — | WO | disclosed |
| WO-1998042702-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |
| CN-1057269-A | Peptide compounds and preparation thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1991-12-25 | — | — | CN | disclosed |