⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7026129 | 0.78 | — | — | |
| SCHEMBL2489615 | 0.77 | — | — | |
| SCHEMBL421928 | 0.74 | — | — | |
| SCHEMBL7605297 | 0.74 | — | — | |
| SCHEMBL7323903 | 0.72 | EPHX1 (0.42) | — | |
| SCHEMBL7604613 | 0.71 | EPHX1 (0.45) | — | |
| SCHEMBL8622909 | 0.71 | MMP1 (0.32) | — | |
| SCHEMBL967501 | 0.70 | DGAT1 (0.34) | — | |
| SCHEMBL1007184 | 0.70 | — | — | |
| SCHEMBL9704744 | 0.70 | — | — |
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 308 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3666767-B1 | PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2021-12-01 | — | — | EP | claimed |
| US-11040952-B2 | Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2021-06-22 | — | — | US | claimed |
| CN-109134429-B | Phthalazinone compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2021-06-01 | — | — | 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-3666767-A1 | PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2020-06-17 | — | — | EP | claimed |
| US-20200181109-A1 | PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-06-11 | — | — | 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 |
| 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-1999063822-A1 | USE OF SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES FOR ANIMAL PEST CONTROL | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-16 | — | — | WO | claimed |
| EP-0741695-B1 | HYDROXAMIC-ACID DERIVATIVES, METHOD OF PREPARING THEM AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1999-11-17 | — | — | EP | claimed |
| WO-1999046249-A1 | 6-SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVES HAVING AT LEAST TWO ASYMMETRICALLY SUBSTITUTED CARBON ATOMS, THE PRODUCTION THEREOF, AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-09-16 | — | — | WO | claimed |
| US-5922881-A | Heterocyclic imino derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-13 | — | — | US | claimed |
| EP-0763018-A2 | HETEROCYCLIC IMINO DERIVATIVES | BAYER AG (DE) | 1997-03-19 | — | — | EP | claimed |
| EP-0741695-A1 | HYDROXAMIC-ACID DERIVATIVES, METHOD OF PREPARING THEM AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1996-11-13 | — | — | EP | claimed |
| WO-1995033717-A2 | HETEROCYCLIC IMINO DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-12-14 | — | — | WO | claimed |
| US-5439874-A | Preemergence, postemergence herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-08-08 | — | — | US | claimed |
| WO-1995020570-A1 | HYDROXAMIC-ACID DERIVATIVES, METHOD OF PREPARING THEM AND THEIR USE AS FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-08-03 | — | — | WO | claimed |
| EP-0050856-B1 | NEW PEPTIDE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-12-27 | — | — | EP | claimed |