⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78474 | 0.95 | — | — | |
| Fluoride SCHEMBL9711015 | 0.95 | — | — | |
| SCHEMBL3617591 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL3627047 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL3618893 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL3622609 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL103931 | 0.95 | — | — | |
| SCHEMBL303088 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL3619227 | 0.95 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL9711009 | 0.95 | 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 5749 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 |
| EP-3708565-A1 | PYRIMIDINYLOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES | Bayer AG (DE) | 2020-09-16 | — | — | EP | claimed |
| EP-3693363-A1 | N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS | The Johns Hopkins University (US) | 2020-08-12 | — | — | EP | claimed |
| CN-109092367-B | Phosphine group modification type metal catalyst and method for producing 1-hexene-1-dodecene by catalyzing ethylene oligomerization | 厦门大学 | 2020-07-03 | — | — | 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 |
| 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 |
| EP-0654468-A1 | Substituded carbamoyl-triazoles, their use as herbicides, and triazole-intermediates | BAYER AG (DE) | 1995-05-24 | — | — | EP | claimed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | claimed |
| US-5045108-A | Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | claimed |
| EP-0126254-B1 | N-(2-NITROPHENYL)-4-AMINOPYRIMIDINE DERIVATIVES AS MICROBICIDES | CIBA-GEIGY AG (CH) | 1987-11-11 | — | — | EP | claimed |
| US-4705790-A | N-(2-nitrophenyl)-4-aminopyrimidine microbicides | CIBA-GEIGY CORPORATION (US) | 1987-11-10 | — | — | US | claimed |
| EP-0126254-A1 | N-(2-nitrophenyl)-4-aminopyrimidine derivatives as microbicides | CIBA-GEIGY AG (CH) | 1984-11-28 | — | — | EP | claimed |