⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12093780 | 0.90 | ACHE (0.30) | — | |
| SCHEMBL9278555 | 0.89 | ADRA1B (0.37) | — | |
| SCHEMBL13039970 | 0.89 | — | — | |
| SCHEMBL10282058 | 0.88 | BRD4 (0.38) | — | |
| SCHEMBL14160855 | 0.87 | CYP1A2 (0.41) | — | |
| SCHEMBL26583162 | 0.87 | CYP1A2 (0.41) | — | |
| SCHEMBL4522162 | 0.87 | CYP1A2 (0.41) | — | |
| SCHEMBL15473874 | 0.87 | HTR2A (0.33) | — | |
| SCHEMBL4532127 | 0.84 | ALOX5 (0.36) | — | |
| SCHEMBL23560348 | 0.83 | NCF1 (0.48) | — |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024141757-A1 | LSD1 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-07-04 | — | — | WO | disclosed |
| US-20230322785-A1 | ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY | MERCK SHARP & DOHME LLC (US) | 2023-10-12 | — | — | US | disclosed |
| US-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |
| US-20220402950-A1 | SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2022-12-22 | — | — | US | disclosed |
| US-20210238184-A1 | THERAPEUTIC COMPOUNDS | GENENTECH, INC. (US) | 2021-08-05 | — | — | US | disclosed |
| EP-3777898-A2 | COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY | Endocyte, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |
| US-10894775-B2 | Piperidine derivatives as liver X receptor beta agonists, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2021-01-19 | — | — | US | disclosed |
| US-20200115354-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2020-04-16 | — | — | US | disclosed |
| EP-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| US-20180094016-A1 | Triazole Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-04-05 | — | — | US | disclosed |
| US-20080242716-A1 | calcium channel modulator; [1-(4-Chloro-phenyl)-2-(4-fluoro-benzyl)-1H-imidazol-4-ylmethyl]-(4-fluoro-phenyl)-)-methyl-amine; analgesic, antidiabetic agent; angina, hypertension, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders | SCION PHARMACEUTICALS, INC. | 2008-10-02 | — | — | US | disclosed |
| US-20080139560-A1 | Ion Channel Modulators | SCION PHARMACEUTICALS, INC. | 2008-06-12 | — | — | US | disclosed |
| US-20080107608-A1 | 5-Substituted-2-Arylpyridines | GE PING | 2008-05-08 | — | — | US | disclosed |
| US-20070281937-A1 | Ion Channel Modulators | SCION PHARMACEUTICALS, INC. | 2007-12-06 | — | — | US | disclosed |
| US-20070208070-A1 | Ion channel modulators | WYETH | 2007-09-06 | — | — | US | disclosed |
| US-20070197513-A1 | Ion channel modulators | SCION PHARMACEUTICALS, INC. | 2007-08-23 | — | — | US | disclosed |
| US-20070197513-A1 | Ion channel modulators | SCION PHARMACEUTICALS, INC. | 2007-08-23 | — | — | US | disclosed |
| US-20070197619-A1 | Ion Channel Modulators | WYETH | 2007-08-23 | — | — | US | disclosed |
| US-20070191448-A1 | Ion channel modulators | SCION PHARMACEUTICALS, INC. | 2007-08-16 | — | — | US | disclosed |
| US-7223778-B2 | 5-substituted-2-arylpyridines | NEUROGEN CORPORATION (US) | 2007-05-29 | — | — | US | disclosed |