⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1646471 | 0.94 | CA1 (0.95) | — | |
| SCHEMBL22169773 | 0.92 | CA1 (1.00) | — | |
| SCHEMBL964315 | 0.92 | CA1 (1.00) | — | |
| SCHEMBL9069907 | 0.90 | CA1 (0.95) | — | |
| SCHEMBL1646299 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL29262605 | 0.86 | — | — | |
| SCHEMBL23762329 | 0.80 | CA1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL23726941 | 0.79 | CA1 (0.61) | — | |
| SCHEMBL16479547 | 0.77 | CA1 (0.60) | — | |
| SCHEMBL18692966 | 0.77 | CA1 (0.60) | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113717156-A | EGFR inhibitor, preparation method and application thereof | 南京红云生物科技有限公司 | 2021-11-30 | — | — | 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 |
| 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 |
| CN-116848091-A | Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP 1) and uses thereof | 1CBIO公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-115697996-A | Alkenyl pyrimidine compound, preparation method and application thereof | 南京红云生物科技有限公司 | 2023-02-03 | — | — | CN | disclosed |
| US-11319305-B2 | Pyrimidine sulfamide derivative and preparation method and medical application thereof | Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) | 2022-05-03 | — | — | US | disclosed |
| CN-107033097-B | Oxadiazole derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-113717156-A | EGFR inhibitor, preparation method and application thereof | 南京红云生物科技有限公司 | 2021-11-30 | — | — | CN | disclosed |
| 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 | disclosed |
| EP-1749007-A2 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | Intermune, Inc. (US) | 2007-02-07 | — | — | EP | disclosed |
| US-20050267018-A1 | Macrocyclic compounds as inhibitors of viral replication | HOFFMANN-LA ROCHE INC. | 2005-12-01 | — | — | US | disclosed |
| WO-2005095403-A2 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | INTERMUNE, INC. (US) | 2005-10-13 | — | — | WO | disclosed |
| WO-2005095403-A2 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | INTERMUNE, INC. (US) | 2005-10-13 | — | — | WO | disclosed |
| EP-1334085-A1 | SULFAMIDES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LTD. (GB) | 2003-08-13 | — | — | EP | disclosed |
| WO-2002036555-A1 | SULFAMIDES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-05-10 | — | — | WO | disclosed |