⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79580 | 0.84 | — | — | |
| Fluoride SCHEMBL9711015 | 0.80 | — | — | |
| SCHEMBL103931 | 0.80 | — | — | |
| SCHEMBL304422 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL303088 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3627047 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3619227 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3622609 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL3618893 | 0.80 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL9711009 | 0.80 | ALDH1A1 (0.36) | — |
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
Appears in 3630 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113603690-B | (E) -acrylic acid derivative containing xanthine-8-group and preparation method and application thereof | 南开大学 | 2022-10-25 | — | — | CN | claimed |
| CN-115215861-A | Aromatic heterocycle substituted alkyne compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-113603690-A | (E) -acrylic acid derivative containing xanthine-8-group and preparation method and application thereof | 南开大学 | 2021-11-05 | — | — | CN | claimed |
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | claimed |
| EP-3728214-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2020-10-28 | — | — | EP | claimed |
| CN-111727185-A | Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances | 拜耳公司 | 2020-09-29 | — | — | CN | claimed |
| CN-111233850-A | Naphthol derivative containing benzothiazole amino and heteroaryl, preparation method and application thereof | 南开大学 | 2020-06-05 | — | — | CN | claimed |
| US-20200095241-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-26 | — | — | US | claimed |
| US-20200079765-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-12 | — | — | US | claimed |
| US-20190330192-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-10-31 | — | — | US | claimed |
| EP-0840734-A1 | SUBSTITUTED ARYL SULPHONYL AMINO (THIO) CARBONYL TRIAZOLIN(THI)ONES | BAYER AG (DE) | 1998-05-13 | — | — | EP | claimed |
| WO-1998007721-A1 | 5,6-DIHYDRO-[1,4,2]-DIOXAZIN-SUBSTITUTED (HETERO)ARYL-(OXY-,IMINO-, ALKYL-)-SULPHONYLAMINO(THIO)CARBONYL-HETEROCYCLYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-26 | — | — | WO | claimed |
| WO-1997046540-A1 | SUBSTITUTED SULPHONYL AMINO(THIO)CARBONYL COMPOUNDS AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-11 | — | — | WO | claimed |
| EP-0805804-A1 | SULPHONYL AMINO(THIO)CARBONYL-1,2,4-TRIAZOLIN(THI)ONE DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES | BAYER AG (DE) | 1997-11-12 | — | — | EP | claimed |
| WO-1997040026-A1 | SUBSTITUTED SULFONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-30 | — | — | WO | claimed |
| WO-1997032876-A1 | SUBSTITUTED ARYL SULPHONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-12 | — | — | WO | claimed |
| WO-1997016449-A1 | SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-09 | — | — | WO | claimed |
| WO-1997003980-A1 | SUBSTITUTED ARYL SULPHONYL AMINO (THIO) CARBONYL TRIAZOLIN(THI)ONES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-06 | — | — | WO | claimed |
| WO-1997003056-A1 | HERBICIDAL SULPHONYLAMINO(THIO)CARBONYL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | claimed |
| WO-1996022982-A1 | SULPHONYL AMINO(THIO)CARBONYL-1,2,4-TRIAZOLIN(THI)ONE DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-08-01 | — | — | WO | claimed |