⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL70685 | 0.98 | — | — | |
| SCHEMBL28807956 | 0.95 | MGAM (0.50) | — | |
| Hydrochloric Acid SCHEMBL25408509 | 0.95 | — | — | |
| SCHEMBL3370470 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL8823685 | 0.95 | — | — | |
| Alcohol SCHEMBL28652002 | 0.93 | MGAM (0.48) | — | |
| SCHEMBL11063668 | 0.93 | — | — | |
| SCHEMBL10836027 | 0.91 | NLRP3 (0.46) | — | |
| SCHEMBL28440518 | 0.91 | MGAM (0.46) | — | |
| SCHEMBL28258298 | 0.89 | MGAM (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |