⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8703444 | 0.73 | — | — | |
| SCHEMBL7408839 | 0.67 | — | — | |
| SCHEMBL17715108 | 0.67 | TSHR (0.70) | — | |
| SCHEMBL11219159 | 0.67 | — | — | |
| SCHEMBL4957494 | 0.67 | — | — | |
| SCHEMBL16681639 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL29715 | 0.65 | — | — | |
| SCHEMBL3534897 | 0.65 | — | — | |
| SCHEMBL269385 | 0.63 | — | — | |
| SCHEMBL9207473 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1129083-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-09-05 | — | — | EP | claimed |
| WO-2000029398-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-05-25 | — | — | WO | claimed |
| EP-1129083-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029398-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-05-25 | — | — | WO | disclosed |