⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17619719 | 0.97 | L3MBTL3 (0.48) | — | |
| SCHEMBL165789 | 0.97 | L3MBTL3 (0.48) | — | |
| SCHEMBL583879 | 0.93 | HTR6 (0.56) | — | |
| SCHEMBL7738069 | 0.93 | — | — | |
| SCHEMBL127850 | 0.93 | HTR6 (0.56) | — | |
| SCHEMBL29058882 | 0.91 | HTR6 (0.50) | — | |
| SCHEMBL24782761 | 0.90 | HTR6 (0.54) | — | |
| SCHEMBL21057384 | 0.90 | HTR6 (0.54) | — | |
| SCHEMBL21422636 | 0.90 | HTR6 (0.54) | — | |
| SCHEMBL22216666 | 0.90 | HTR6 (0.54) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946111-A | Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-04-30 | — | — | CN | disclosed |
| EP-4234548-A1 | SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) | 2023-08-30 | — | — | EP | disclosed |
| WO-2022256554-A1 | FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME | UNIVERSITY OF THE SCIENCES (US) | 2022-12-08 | — | — | WO | disclosed |
| CN-110878052-B | FXR agonist-containing compound and preparation method and application thereof | 山东大学 | 2021-05-07 | — | — | CN | disclosed |
| WO-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | disclosed |
| CN-110878052-A | FXR agonist-containing compound and preparation method and application thereof | 山东大学 | 2020-03-13 | — | — | CN | disclosed |
| WO-2019036377-A1 | TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2019-02-21 | — | — | WO | disclosed |
| WO-2015134790-A1 | SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2015-09-11 | — | — | WO | disclosed |
| EP-1955697-A1 | 2-AMINOBENZAMIDE DERIVATIVE | Astellas Pharma Inc. (JP) | 2008-08-13 | — | — | EP | disclosed |
| WO-2008060767-A2 | MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2008-05-22 | — | — | WO | disclosed |