⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8512235 | 0.80 | CA12 (0.42) | — | |
| SCHEMBL30873268 | 0.80 | CA12 (0.42) | — | |
| SCHEMBL8512237 | 0.80 | CA12 (0.42) | — | |
| SCHEMBL18555563 | 0.80 | CA12 (0.42) | — | |
| SCHEMBL2539758 | 0.79 | BCHE (0.37) | — | |
| SCHEMBL2545025 | 0.74 | EPHX1 (0.45) | — | |
| SCHEMBL10348295 | 0.72 | — | — | |
| SCHEMBL24268407 | 0.72 | CA12 (0.39) | — | |
| SCHEMBL21827917 | 0.70 | — | — | |
| SCHEMBL21828063 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0698604-A1 | Process for producing a 3,4,-alkylene-1,3,4-thiadiazolidin-2-one and intermediates for the same | Mitsubishi Chemical Corporation (JP) | 1996-02-28 | — | — | EP | claimed |
| US-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| US-6403534-B1 | HERBICIDES; 1-(2-CHLORO-4-FLUORO-5-(3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1,2,3,6 -TETRAHYDROPYRIMIDIN-1-YL) PHENOXY)CYCLOPROPANECARBOXYLATES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-11 | — | — | US | disclosed |
| US-5705651-A | Process for producing a 3,4-alkylene-1,3,4-thiadiazolidin-2-one and intermediates for the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0763025-A1 | SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-19 | — | — | EP | disclosed |
| EP-0698604-A1 | Process for producing a 3,4,-alkylene-1,3,4-thiadiazolidin-2-one and intermediates for the same | Mitsubishi Chemical Corporation (JP) | 1996-02-28 | — | — | EP | disclosed |
| WO-1995033728-A1 | SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-14 | — | — | WO | disclosed |
| US-4806637-A | 6-(Hydroxyethyl)-2-(heterocyclylthio)-penem-3-carboxylates | SCHERING CORPORATION (US) | 1989-02-21 | — | — | US | disclosed |
| EP-0238285-A2 | 2-Heterocyclylthio penems | SCHERING CORPORATION (US) | 1987-09-23 | — | — | EP | disclosed |