⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL745482 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL3073891 | 0.74 | CA12 (0.48) | — | |
| SCHEMBL7927866 | 0.73 | — | — | |
| SCHEMBL10403225 | 0.73 | — | — | |
| SCHEMBL6351618 | 0.73 | — | — | |
| SCHEMBL4722756 | 0.73 | — | — | |
| SCHEMBL11226772 | 0.73 | — | — | |
| SCHEMBL13692 | 0.71 | — | — | |
| SCHEMBL42490 | 0.71 | — | — | |
| SCHEMBL20899901 | 0.69 | — | — |
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 521 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20200079765-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-12 | — | — | US | claimed |
| EP-3558975-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| WO-2019025153-A1 | USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-02-07 | — | — | WO | claimed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| US-9718793-B2 | Isoxazole compounds as inhibitors of heat shock proteins | VERNALIS (R&D) LTD. (GB) | 2017-08-01 | — | — | US | claimed |
| EP-1480944-B1 | SUBSTITUTED ARYL KETONES | BAYER IP GMBH (DE) | 2016-08-10 | — | — | EP | claimed |
| US-20150322094-A1 | USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2015-11-12 | — | — | US | claimed |
| US-6323196-B1 | ENZYME INHIBITORS AND COGNITION ACTIVATORS | AVENTIS PHARMACEUTICALS INC. | 2001-11-27 | — | — | US | claimed |
| WO-2001053275-A2 | SUBSTITUTED ARYL KETONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-26 | — | — | WO | claimed |
| WO-2001034575-A1 | SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-05-17 | — | — | WO | claimed |
| EP-1095027-A1 | SUBSTITUTED PHENYL URACILS | BAYER AG (DE) | 2001-05-02 | — | — | EP | claimed |
| WO-2001023367-A1 | SUBSTITUTED ARYL KETONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-04-05 | — | — | WO | claimed |
| WO-2000078734-A1 | SUBSTITUTED HERBICIDAL PHENYLURACILS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | claimed |
| EP-1020469-A2 | Galanthamine derivatives, a process for their preparation and their use as medicaments | SYNAPTECH, INC. (US) | 2000-07-19 | — | — | EP | claimed |
| WO-2000002866-A1 | SUBSTITUTED PHENYL URACILS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-20 | — | — | WO | claimed |
| EP-0648771-A1 | Galanthamine derivatives, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1995-04-19 | — | — | EP | claimed |
| WO-1991019715-A1 | 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-12-26 | — | — | WO | claimed |