⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1466227 | 0.62 | — | — | |
| SCHEMBL1720501 | 0.59 | — | — | |
| SCHEMBL7253131 | 0.57 | ADORA2A (0.35) | — | |
| SCHEMBL22314732 | 0.56 | — | — | |
| SCHEMBL12733947 | 0.55 | — | — | |
| SCHEMBL103163 | 0.50 | MEN1 (0.42) | — | |
| SCHEMBL1312139 | 0.50 | MEN1 (0.42) | — | |
| SCHEMBL102019 | 0.48 | MEN1 (0.47) | — | |
| SCHEMBL103338 | 0.46 | — | — | |
| Perchlorobenzene SCHEMBL26562 | 0.40 | ALDH1A1 (0.50) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929695-B | Sulfimide psoralen derivatives, and preparation method and application thereof | 南开大学 | 2024-06-07 | — | — | CN | claimed |
| CN-113929695-A | Sulfenimide psoralen derivatives, and preparation method and application thereof | 南开大学 | 2022-01-14 | — | — | CN | claimed |
| EP-2573077-B1 | METHOD FOR PRODUCING 3,4-DICHLOR-N-(2-CYANO-PHENYL)-5-ISOTHIAZOLE CARBOXAMIDE | BAYER CROPSCIENCE AG (DE) | 2017-10-04 | — | — | EP | claimed |
| EP-1926717-B1 | Process for preparing 3,4-dichloro-N-(2-cyanophenyl)-5-isothiazole-carboxamide | BAYER CROPSCIENCE AG (DE) | 2013-02-27 | — | — | EP | claimed |
| US-20030176477-A1 | Isothiazolecarboxylic acid derivatives and their use as microbicides | NIHON BAYER AGROCHEM, K.K. (JP) | 2003-09-18 | — | — | US | claimed |
| EP-1261592-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2002-12-04 | — | — | EP | claimed |
| WO-2001055124-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-08-02 | — | — | WO | claimed |
| CN-113929695-A | Sulfenimide psoralen derivatives, and preparation method and application thereof | 南开大学 | 2022-01-14 | — | — | CN | disclosed |
| CN-103483288-A | 3,4-dichloroisothiazole containing bishydrazide compounds as well as preparation method and application thereof | UNIV NANKAI | 2014-01-01 | — | — | CN | disclosed |
| US-20030176477-A1 | Isothiazolecarboxylic acid derivatives and their use as microbicides | NIHON BAYER AGROCHEM, K.K. (JP) | 2003-09-18 | — | — | US | disclosed |
| EP-1261592-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001055124-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-08-02 | — | — | WO | disclosed |