⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11192016 | 0.82 | MEN1 (0.35) | — | |
| SCHEMBL10456702 | 0.76 | CYP1A2 (0.35) | — | |
| SCHEMBL10740901 | 0.74 | — | — | |
| SCHEMBL17108682 | 0.72 | — | — | |
| SCHEMBL16852766 | 0.72 | — | — | |
| Methylamine SCHEMBL28882609 | 0.71 | — | — | |
| SCHEMBL5531414 | 0.69 | PPARA (0.39) | — | |
| SCHEMBL1647676 | 0.69 | — | — | |
| SCHEMBL2002939 | 0.68 | ADH1B (0.31) | — | |
| SCHEMBL5538955 | 0.68 | ACLY (0.40) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0032200-B1 | SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES | BAYER AG (DE) | 1983-07-13 | — | — | EP | claimed |
| EP-0031911-B1 | SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES | BAYER AG (DE) | 1982-11-17 | — | — | EP | claimed |
| EP-0032200-A1 | Substituted triazolylmethyl-tert.-butyl-carbinols, process for their preparation and their use as plant protecting agents as well as intermediates | BAYER AG (DE) | 1981-07-22 | — | — | EP | claimed |
| EP-0031911-A2 | Substituted triazolylmethyl-tert.-butyl-ketones, process for their preparation and their use as plant protecting agents as well as intermediates | BAYER AG (DE) | 1981-07-15 | — | — | EP | claimed |
| EP-0103798-B1 | SUBSTITUTED AZOLYLALKYL-T.BUTYL KETONES AND CARBINOLS | BAYER AG (DE) | 1986-12-30 | — | — | EP | disclosed |
| US-4603140-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-07-29 | — | — | US | disclosed |
| EP-0103798-A2 | Substituted azolylalkyl-t.butyl ketones and carbinols | BAYER AG (DE) | 1984-03-28 | — | — | EP | disclosed |
| EP-0032200-B1 | SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES | BAYER AG (DE) | 1983-07-13 | — | — | EP | disclosed |
| EP-0031911-B1 | SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES | BAYER AG (DE) | 1982-11-17 | — | — | EP | disclosed |
| EP-0031911-B1 | SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES | BAYER AG (DE) | 1982-11-17 | — | — | EP | disclosed |
| EP-0057357-A2 | Plant growth stunting agent | BAYER AG (DE) | 1982-08-11 | — | — | EP | disclosed |
| EP-0032200-A1 | Substituted triazolylmethyl-tert.-butyl-carbinols, process for their preparation and their use as plant protecting agents as well as intermediates | BAYER AG (DE) | 1981-07-22 | — | — | EP | disclosed |
| EP-0031911-A2 | Substituted triazolylmethyl-tert.-butyl-ketones, process for their preparation and their use as plant protecting agents as well as intermediates | BAYER AG (DE) | 1981-07-15 | — | — | EP | disclosed |
| EP-0031911-A2 | Substituted triazolylmethyl-tert.-butyl-ketones, process for their preparation and their use as plant protecting agents as well as intermediates | BAYER AG (DE) | 1981-07-15 | — | — | EP | disclosed |
| EP-0031911-A2 | Substituted triazolylmethyl-tert.-butyl-ketones, process for their preparation and their use as plant protecting agents as well as intermediates | BAYER AG (DE) | 1981-07-15 | — | — | EP | disclosed |