⚠ 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 | |
|---|---|---|---|---|
| Sulfurous Acid SCHEMBL9442089 | 0.87 | — | — | |
| SCHEMBL11458517 | 0.82 | — | — | |
| SCHEMBL7728715 | 0.80 | — | — | |
| SCHEMBL14909790 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL7734117 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL7722179 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL901509 | 0.73 | — | — | |
| SCHEMBL706040 | 0.73 | — | — | |
| SCHEMBL5274410 | 0.73 | — | — | |
| SCHEMBL2111463 | 0.73 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3395795-B1 | MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) | 2023-07-19 | — | — | EP | disclosed |
| EP-0381622-B1 | Method for the production of dihalogenobutyraldehydes | CIBA GEIGY AG (CH) | 1994-03-16 | — | — | EP | disclosed |
| US-5264630-A | Chemical intermediates for herbicides | CIBA-GEIGY CORPORATION (US) | 1993-11-23 | — | — | US | disclosed |
| US-5256815-A | Intermediates for herbicides and plant growth regulators | CIBA-GEIGY CORPORATION (US) | 1993-10-26 | — | — | US | disclosed |
| EP-0381624-B1 | PROCESS FOR THE PRODUCTION OF 1-ALKYL THIO- AND OF 1-BENZYL THIO-1-FORMYL-CYCLOPROPANES | CIBA-GEIGY AG (CH) | 1993-05-12 | — | — | EP | disclosed |
| EP-0381623-B1 | PROCESS FOR THE PRODUCTION OF SUBSTITUTED CYCLOPROPANALS | CIBA-GEIGY AG (CH) | 1993-03-31 | — | — | EP | disclosed |
| US-5189227-A | Intermediates for cyclopropanecarbaldehydes | CIBA-GEIGY CORPORATION (US) | 1993-02-23 | — | — | US | disclosed |
| US-5077439-A | Herbicide intermediates | CIBA-GEIGY CORPORATION (US) | 1991-12-31 | — | — | US | disclosed |
| US-5026916-A | Reacting dihalobutanal with alkali salt of a mercaptan in inert solvent and base | CIBA-GEIGY CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |
| US-5015780-A | Process for the preparation of dihalobutyraldehydes | CIBA-GEIGY CORPORATION (US) | 1991-05-14 | — | — | US | disclosed |
| US-4968836-A | FROM A HYDROCARBYLOXY HALOGENATED TETRAHYDROFURAN | CIBA-GEIGY CORPORATION (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0381624-A1 | Process for the production of 1-alkyl thio- and of 1-benzyl thio-1-formyl-cyclopropanes | CIBA-GEIGY AG (CH) | 1990-08-08 | — | — | EP | disclosed |
| EP-0381622-A2 | Method for the production of dihalogenobutyraldehydes | CIBA-GEIGY AG (CH) | 1990-08-08 | — | — | EP | disclosed |
| EP-0381623-A1 | Process for the production of substituted cyclopropanals | CIBA-GEIGY AG (CH) | 1990-08-08 | — | — | EP | disclosed |
| EP-0105464-A2 | Textile finishes | SWS Silicones Corporation (US) | 1984-04-18 | — | — | EP | disclosed |
| US-4234488-A | FLUORESCENT DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-11-18 | — | — | US | disclosed |