⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2774680 | 0.91 | TSHR (0.50) | — | |
| SCHEMBL8075806 | 0.84 | TSHR (0.50) | — | |
| SCHEMBL2138798 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL2140453 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL5532030 | 0.76 | — | — | |
| SCHEMBL11040148 | 0.76 | TSHR (0.60) | — | |
| SCHEMBL28975660 | 0.76 | TSHR (0.67) | — | |
| SCHEMBL11042961 | 0.76 | TSHR (0.54) | — | |
| SCHEMBL17728702 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL22493549 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120058654-A | Furan ring-containing ester compound and preparation method and application thereof | 中国科学院海洋研究所 | 2025-05-30 | — | — | CN | disclosed |
| US-8399473-B2 | Macrocyclic spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-19 | — | — | US | disclosed |
| EP-2073635-B1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |
| US-20100029701-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-02-04 | — | — | US | disclosed |
| EP-2073635-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008045250-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-04-17 | — | — | WO | disclosed |