⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15301112 | 0.73 | — | — | |
| SCHEMBL3003406 | 0.69 | ALDH1A1 (0.40) | — | |
| Biphenyl SCHEMBL936183 | 0.67 | ALDH1A1 (0.69) | — | |
| Biphenyl SCHEMBL31681677 | 0.67 | ALDH1A1 (0.69) | — | |
| SCHEMBL7262793 | 0.64 | — | — | |
| Biphenyl SCHEMBL2977612 | 0.64 | ALDH1A1 (0.64) | — | |
| SCHEMBL3008677 | 0.64 | — | — | |
| Biphenyl SCHEMBL1775460 | 0.64 | ALDH1A1 (0.64) | — | |
| SCHEMBL6238937 | 0.64 | — | — | |
| SCHEMBL691694 | 0.64 | — | — |
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 97 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 |
| WO-2020019289-A1 | NOVEL RHODAMINE DYE AND APPLICATION THEREOF AGAINST PATHOGENIC BACTERIA | 华东理工大学 | 2020-01-30 | — | — | WO | 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-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-9120814-B2 | Compounds with embedded benzopyran motif for core structures and preparation method thereof | SNU R&DB FOUNDATION (KR) | 2015-09-01 | — | — | US | claimed |
| US-20090326015-A1 | COMPOUNDS WITH EMBEDDED BENZOPYRAN MOTIF FOR CORE STRUCTURES AND PREPARATION METHOD THEREOF | SNU R&DB FOUNDATION (KR) | 2009-12-31 | — | — | US | claimed |
| WO-2008072801-A1 | COMPOUNDS WITH EMBEDDED BENZOPYRAN MOTIF FOR CORE STRUCTURES AND PREPARATION METHOD THEREOF | SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) | 2008-06-19 | — | — | WO | claimed |
| US-6410792-B1 | OBESITY DISEASES | BAYER CORPORATION | 2002-06-25 | — | — | US | claimed |
| US-6048900-A | FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA | BAYER CORPORATION (US) | 2000-04-11 | — | — | US | claimed |
| EP-0910565-A1 | AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | Bayer Corporation (US) | 1999-04-28 | — | — | EP | claimed |
| WO-1998035957-A1 | AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | BAYER CORPORATION (US) | 1998-08-20 | — | — | WO | claimed |
| EP-0688444-B1 | POLYMERS EXHIBITING NONLINEAR OPTICAL PROPERTIES | ALLIED SIGNAL INC (US) | 1998-05-13 | — | — | EP | claimed |
| US-5670603-A | POLYESTER,-ETHERS, AMIDES, URETHANES,-EPOXIDES,-IMIDES, AND CARBONATES BASED ON MONOMERS OF 9,9-BIS/SUBSTITUTED PHENYLFLUORENE COMPOUNDS HAVING ELECTRON WITHDRAWING AND DONATING GROUPS; HEAT RESISTANCE; THIN FILMS | ALLIEDSIGNAL INC. (US) | 1997-09-23 | — | — | US | claimed |
| EP-0688444-A1 | POLYMERS EXHIBITING NONLINEAR OPTICAL PROPERTIES | AlliedSignal Inc. (US) | 1995-12-27 | — | — | EP | claimed |
| WO-1994020881-A1 | POLYMERS EXHIBITING NONLINEAR OPTICAL PROPERTIES | ALLIEDSIGNAL INC. (US) | 1994-09-15 | — | — | WO | claimed |
| EP-0170612-B1 | REACTIVE DYES, THEIR PREPARATION AND THEIR USE | CIBA-GEIGY AG (CH) | 1989-05-24 | — | — | EP | claimed |
| EP-0056992-A1 | Phosphorylated derivatives, pharmaceutical compositions containing such derivatives, and their use | CIBA-GEIGY AG (CH) | 1982-08-04 | — | — | EP | claimed |