⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11636830 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL13548741 | 0.74 | — | — | |
| SCHEMBL703411 | 0.72 | — | — | |
| SCHEMBL2813561 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL1981268 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL5049650 | 0.70 | PKM (0.45) | — | |
| SCHEMBL6590669 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL19255871 | 0.70 | — | — | |
| SCHEMBL6857304 | 0.70 | PTPN2 (0.48) | — | |
| SCHEMBL7824635 | 0.69 | PTPN2 (0.58) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109593094-B | Preparation method of thieno [2,3-c ] pyridine-7 (6h) -ketone | 上海卡洛化学有限公司 | 2020-03-17 | — | — | CN | claimed |
| CN-118159518-A | Method and intermediates for preparing ipratropium | 安道麦马克西姆有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-109593094-B | Preparation method of thieno [2,3-c ] pyridine-7 (6h) -ketone | 上海卡洛化学有限公司 | 2020-03-17 | — | — | CN | disclosed |
| CN-109593094-B | Preparation method of thieno [2,3-c ] pyridine-7 (6h) -ketone | 上海卡洛化学有限公司 | 2020-03-17 | — | — | CN | disclosed |
| CN-107382766-B | A kind of Pd (PPh3)4The amides compound synthetic method of catalysis | 中国人民解放军63975部队 | 2019-09-24 | — | — | CN | disclosed |
| CN-107382766-A | A kind of Pd（PPh3）4The amides compound synthetic method of catalysis | 中国人民解放军63975部队 | 2017-11-24 | — | — | CN | disclosed |
| US-7732607-B2 | Heteroaryl-substituted diazatricycloalkanes and methods of use thereof | TARGACEPT, INC. | 2010-06-08 | — | — | US | disclosed |
| US-20070197579-A1 | Heteroaryl-Substituted Diazatricycloalkanes and Methods of Use Thereof | TARGACEPT, INC. | 2007-08-23 | — | — | US | disclosed |