⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148914 | 0.71 | — | — | |
| SCHEMBL29138366 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL540120 | 0.70 | — | — | |
| SCHEMBL12670443 | 0.69 | — | — | |
| SCHEMBL2645264 | 0.69 | — | — | |
| SCHEMBL29165409 | 0.67 | — | — | |
| SCHEMBL28662436 | 0.67 | — | — | |
| SCHEMBL29131062 | 0.67 | — | — | |
| SCHEMBL21225973 | 0.67 | — | — | |
| SCHEMBL10980299 | 0.65 | — | — |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2921485-B1 | ISOXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | claimed |
| EP-2921484-B1 | OXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | claimed |
| EP-2921495-B1 | HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER IP GMBH (DE) | 2018-03-28 | — | — | EP | claimed |
| US-9924721-B2 | Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-03-27 | — | — | US | claimed |
| EP-3013821-B1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2018-03-14 | — | — | EP | claimed |
| US-9717243-B2 | Piperidinecarboxylic acid derivatives as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-08-01 | — | — | US | claimed |
| US-20160198713-A1 | Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-07-14 | — | — | US | claimed |
| US-20160135461-A1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-05-19 | — | — | US | claimed |
| EP-3013821-A1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2016-05-04 | — | — | EP | claimed |
| WO-2014206896-A1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2014-12-31 | — | — | WO | claimed |
| US-7078049-B2 | Ultrafine emulsion containing a haloalkynyl derivative | L'OREAL (FR) | 2006-07-18 | — | — | US | claimed |
| US-20030073689-A1 | Ultrafine emulsion containing a haloalkynyl derivative | L'OREAL (FR) | 2003-04-17 | — | — | US | claimed |
| JP-57059832-A | — | — | None | — | — | JP | disclosed |
| JP-62255475-A | — | — | None | — | — | JP | disclosed |
| JP-61129156-A | — | — | None | — | — | JP | disclosed |
| EP-4622947-A1 | ENAMINE N-OXIDE TOOLS FOR TARGET IDENTIFICATION APPLICATIONS | Dana-Farber Cancer Institute, Inc. (US) | 2025-10-01 | — | — | EP | disclosed |
| US-4592865-A | Antibiotic | SHIONOGI & CO., LTD. (JP) | 1986-06-03 | — | — | US | disclosed |
| EP-0171768-A1 | Substituted propargyloxyacetonitrile derivatives, process for production thereof, and herbicide and agricultural-horticultural fungicide comprising said derivatives as active ingredients | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1986-02-19 | — | — | EP | disclosed |
| JP-S5759832-A | TRIHALOALLYL DERIVATIVE AND TERMITE-PROOF AGENT, REPELLENT, ANTIFUNGAL AGENT AND PRESERVATIVE CONTAINING THE SAME AS ACTIVE CONSTITUENT | SANKYO CO LTD | 1982-04-10 | — | — | JP | disclosed |
| US-4233216-A | INTERMEDIATES FOR OXADETHIACEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1980-11-11 | — | — | US | disclosed |