⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28131131 | 0.87 | HDAC3 (0.34) | — | |
| SCHEMBL27696344 | 0.80 | — | — | |
| SCHEMBL27561567 | 0.80 | — | — | |
| SCHEMBL28822104 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL27868310 | 0.75 | RIPK1 (0.39) | — | |
| SCHEMBL228856 | 0.73 | — | — | |
| SCHEMBL26622075 | 0.73 | — | — | |
| SCHEMBL225423 | 0.73 | — | — | |
| SCHEMBL226904 | 0.73 | — | — | |
| SCHEMBL30672627 | 0.72 | HSD17B10 (0.36) | — |
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-106463775-B | Electrolyte and secondary cell | 日本电气株式会社 | 2019-04-23 | — | — | CN | disclosed |
| CN-106463775-A | Electrolyte solution and secondary battery | 日本电气株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-103416403-B | The novelty teabag of Pogostone and derivative thereof | CHENGDU UNIVERSITY OF TRADITIONAL CHINESE MEDICINE (CN) | 2016-03-16 | — | — | CN | disclosed |
| CN-103565798-B | The novelty teabag of Pogostone and derivant thereof | CHENGDU UNIVERSITY OF TRADITIONAL CHINESE MEDICINE (CN) | 2015-12-23 | — | — | CN | disclosed |
| CN-104224774-A | New use of patchoulenone and derivative thereof | UNIV CHENGDU TRAD CN MEDICINE | 2014-12-24 | — | — | CN | disclosed |
| CN-103565798-A | New application of patchoulenone and derivative thereof | UNIV CHENGDU TRAD CN MEDICINE | 2014-02-12 | — | — | CN | disclosed |
| CN-1255917-A | Anti-convulsant isoquinolyl-benzamide derivatives | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | CN | disclosed |
| CN-1055876-A | Further glycosylated inhibitor of albumen and using method thereof | UNIV ROCKEFELLER (US) | 1991-11-06 | — | — | CN | disclosed |