⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL304641 | 0.97 | — | — | |
| SCHEMBL8606031 | 0.95 | ADH1A (1.00) | — | |
| SCHEMBL5651614 | 0.95 | ADH1A (1.00) | — | |
| SCHEMBL303776 | 0.95 | ADH1A (1.00) | — | |
| SCHEMBL8952019 | 0.95 | ADH1A (1.00) | — | |
| SCHEMBL207500 | 0.92 | — | — | |
| SCHEMBL23697411 | 0.91 | ADH1B (0.75) | — | |
| SCHEMBL13243254 | 0.90 | ADH1B (0.74) | — | |
| SCHEMBL24202181 | 0.82 | ADH1B (0.68) | — | |
| SCHEMBL12967867 | 0.80 | ADH1B (0.61) | — |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11396502-B2 | Substituted heterocyclic derivatives as PI3K inhibitors | INCYTE CORPORATION (US) | 2022-07-26 | — | — | US | 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 |
| WO-2020102216-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2020-05-22 | — | — | WO | claimed |
| US-20200148667-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION | 2020-05-14 | — | — | US | claimed |
| US-20200095241-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-26 | — | — | 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 |
| US-20190330192-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-10-31 | — | — | US | claimed |
| EP-3558986-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | 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 |
| US-20100305140-A1 | BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR | ASTRAZENECA AB (SE) | 2010-12-02 | — | — | US | claimed |
| EP-1878725-B1 | Pyrimidine derivatives and their use as CB2 modulators | GLAXO GROUP LTD (GB) | 2010-11-24 | — | — | EP | claimed |
| US-20090325926-A1 | PYRROLO[3,2-D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-31 | — | — | US | claimed |
| EP-2035409-A1 | BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANATGONIST FOR THE CB1-RECEPTOR | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | claimed |
| EP-2010526-A1 | BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | claimed |
| WO-2007145563-A1 | BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR | ASTRAZENECA AB (SE) | 2007-12-21 | — | — | WO | claimed |
| WO-2007120101-A1 | BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | claimed |
| US-20070244092-A1 | N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management | ASTRAZENECA AB (SE) | 2007-10-18 | — | — | US | claimed |