⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27633352 | 0.80 | — | — | |
| SCHEMBL12294410 | 0.74 | — | — | |
| SCHEMBL5540225 | 0.64 | USP2 (0.30) | — | |
| SCHEMBL3691786 | 0.63 | — | — | |
| SCHEMBL7442697 | 0.58 | — | — | |
| SCHEMBL4166914 | 0.58 | — | — | |
| SCHEMBL685618 | 0.57 | — | — | |
| SCHEMBL3642541 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL7179977 | 0.56 | — | — | |
| SCHEMBL7999376 | 0.56 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| US-6297374-B1 | Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them | NIHON BAYER AGROCHEM K.K. (JP) | 2001-10-02 | — | — | US | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| US-6022967-A | 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-02-08 | — | — | US | disclosed |
| US-5750704-A | INSECTICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1998-05-12 | — | — | US | disclosed |
| US-5580889-A | Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-03 | — | — | US | disclosed |
| US-5461167-A | 2-chloro-5-chloromethyl thiazole; insecticide | NIHON BAYER AGROCHEM K.K. (JP) | 1995-10-24 | — | — | US | disclosed |
| US-5428032-A | Insecticides | NIHON BAYER AGROCHEM K.K. (JP) | 1995-06-27 | — | — | US | disclosed |
| US-5298507-A | Insecticides | NIHON BAYER AGROCHEM K.K. (JP) | 1994-03-29 | — | — | US | disclosed |
| US-5204360-A | Insecticides | NIHON BAYER AGROCHEM K.K. (JP) | 1993-04-20 | — | — | US | disclosed |
| US-5001138-A | Insecticides | NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) | 1991-03-19 | — | — | US | disclosed |
| US-4845106-A | INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-07-04 | — | — | US | disclosed |
| US-4742060-A | 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) | 1988-05-03 | — | — | US | disclosed |
| EP-0192060-A1 | Heterocyclic compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1986-08-27 | — | — | EP | disclosed |
| US-RE32154-E | FROM BENZO-THIETANE-2-SPIRO-2'(1,3'-DIZACCYCLOALKANE AND ALKYL HALIDE | BASF AKTIENGESELLSCHAFT (DE) | 1986-05-20 | — | — | US | disclosed |
| US-4122263-A | REACTING A BENZOTHIETANE-2-SPIRO-2'(1',3'-DIAZACYCLOALKANE) WITH AN ALKYL HALIDE | BASF AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |