⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2498703 | 0.78 | — | — | |
| SCHEMBL11057283 | 0.78 | — | — | |
| SCHEMBL6205467 | 0.71 | — | — | |
| SCHEMBL1533841 | 0.65 | PPARA (0.32) | — | |
| SCHEMBL28123327 | 0.65 | PPARA (0.32) | — | |
| SCHEMBL5376341 | 0.64 | — | — | |
| SCHEMBL2507667 | 0.62 | — | — | |
| SCHEMBL2505160 | 0.61 | — | — | |
| SCHEMBL2503088 | 0.61 | — | — | |
| SCHEMBL3766132 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119350315-A | 2- (1H-indole-2-yl) -1,3, 4-oxadiazole derivatives, and preparation method and application thereof | 南开大学 | 2025-01-24 | — | — | CN | claimed |
| CN-114014264-A | Hydrogen storage material and preparation method thereof | 株洲铂陆新能源科技有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-117987851-A | Method for preparing indolo [2,3-b ] quinoline compounds by electrochemical iodine catalysis | 山东第二医科大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-117946104-A | Preparation method of iodine-mediated indolo [2,3-b ] quinoline compound in water phase | 山东第二医科大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-115916196-A | Heteroaromatic macrocyclic ether chemotherapeutic agents | 纽威伦特公司 | 2023-04-04 | — | — | CN | disclosed |
| US-20230099204-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER IN WHICH KRAS MUTATION AND ACTIVATED RON ARE PRESENT | WELLMARKER BIO CO., LTD. (KR) | 2023-03-30 | — | — | US | disclosed |
| CN-114014264-A | Hydrogen storage material and preparation method thereof | 株洲铂陆新能源科技有限公司 | 2022-02-08 | — | — | CN | disclosed |
| WO-2018052903-A1 | RORγ MODULATORS | THE SCRIPPS RESEARCH INTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |
| CN-1219953-A | Fabric softening compound/composition | PROCTER & GAMBLE (US) | 1999-06-16 | — | — | CN | disclosed |