⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7160904 | 0.73 | POLB (0.38) | — | |
| SCHEMBL27887719 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL4947198 | 0.66 | — | — | |
| SCHEMBL5259363 | 0.66 | — | — | |
| SCHEMBL9543479 | 0.66 | — | — | |
| SCHEMBL121557 | 0.66 | — | — | |
| SCHEMBL1545809 | 0.65 | — | — | |
| SCHEMBL2089384 | 0.65 | HTT (0.44) | — | |
| SCHEMBL8587432 | 0.64 | TP53 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27680361 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5739349-A | CHEMICAL INTERMEDIATE FOR HERBICIDES, INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | claimed |
| EP-0661277-B1 | Process for making triazolines and new untermediates used therein | BAYER AG (DE) | 1998-03-11 | — | — | EP | claimed |
| US-5475115-A | Reacting sulfonyltriazole with alkali hydroxide followed by acidification | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | claimed |
| JP-7188186-A | — | — | None | — | — | JP | disclosed |
| CN-100334092-C | Process for producing cyclic thioether and synthetic intermediate thereof | SANKYO CO (JP) | 2007-08-29 | — | — | CN | disclosed |
| CN-1675221-A | Process for producing cyclic thioether and synthetic intermediate thereof | SANKYO CO (JP) | 2005-09-28 | — | — | CN | disclosed |
| US-6472535-B1 | PREPARING A TRIAZOLINONE BY REACTING A TRIAZOLINETHIONE WITH AN OXIDANT IN THE PRESENCE OF A BASE; DOES NOT REQUIRE LONG REFLUX TIMES | BAYER CORPORATION | 2002-10-29 | — | — | US | disclosed |
| US-5739349-A | CHEMICAL INTERMEDIATE FOR HERBICIDES, INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | disclosed |
| US-5639891-A | HERBICIDES; INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-17 | — | — | US | disclosed |
| US-5475115-A | Reacting sulfonyltriazole with alkali hydroxide followed by acidification | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | disclosed |
| JP-H07188186-A | METHOD FOR PRODUCING TRIAZOLINONE AND NOVEL INTERMEDIATE | BAYER AG | 1995-07-25 | — | — | JP | disclosed |
| US-4233059-A | HERBICIDES, INSECTICIDES, MITICIDES, FUNGICIDES, NEMATOCIDES | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | US | disclosed |