⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL10712463 | 1.00 | ALDH1A1 (0.40) | — | |
| Ether SCHEMBL3625773 | 1.00 | ALDH1A1 (0.40) | — | |
| Ether SCHEMBL1070400 | 1.00 | ALDH1A1 (0.40) | — | |
| Ether SCHEMBL442345 | 1.00 | ALDH1A1 (0.40) | — | |
| SCHEMBL1567071 | 0.87 | ALDH1A1 (0.36) | — | |
| Ether SCHEMBL4526541 | 0.86 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL3761236 | 0.86 | ALDH1A1 (0.40) | — | |
| Ether SCHEMBL40006 | 0.85 | — | — | |
| Ether SCHEMBL6535103 | 0.85 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL28855718 | 0.85 | ALDH1A1 (0.37) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294530-A | Purification method of vernakalant hydrochloride | MEDISANTECH CORP | 2016-02-03 | — | — | CN | claimed |
| CN-105016993-A | Refining method for hexanal | Yueyang changde chemical industry co ltd | 2015-11-04 | — | — | CN | claimed |
| CN-104610121-A | Preparation method for Vernakalant hydrochloride | BEIJING HARBIN MEDISAN TECHNOLOGY CO LTD | 2015-05-13 | — | — | CN | claimed |
| CN-104045646-A | Synthetic method of harringtonine intermediate with D-ring | UNIV HEBEI SCIENCE & TECH | 2014-09-17 | — | — | CN | claimed |
| CN-116495745-A | Method for preparing tetrafluoroborate | 河南省氟基新材料科技有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-108602841-B | Novel ammonium derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2021-03-23 | — | — | CN | disclosed |
| US-10711010-B2 | Hydroxyester derivatives, a process for their preparation and pharmaceutical compositions containing them | LES LABORATORIES SERVIER (FR) | 2020-07-14 | — | — | US | disclosed |
| CN-111417618-A | Process for preparing enantiomerically and diastereomerically enriched cyclobutaneamines and cyclobutaneamides | 先正达参股股份有限公司 | 2020-07-14 | — | — | CN | disclosed |
| EP-3313851-B1 | NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2019-11-06 | — | — | EP | disclosed |
| EP-3405471-B1 | NEW AMMONIUM DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2019-10-30 | — | — | EP | disclosed |
| US-10457687-B2 | Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them | LES LABORATOIRES SERVIER (FR) | 2019-10-29 | — | — | US | disclosed |
| US-10457689-B2 | Ammonium derivatives, a process for their preparation and pharmaceutical compositions containing them | LES LABORATOIRES SERVIER (FR) | 2019-10-29 | — | — | US | disclosed |
| CN-100494190-C | Compound containing o-naphthaquinone and application | UNIV ZHONGSHAN (CN) | 2009-06-03 | — | — | CN | disclosed |
| US-20090018163-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| US-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |
| WO-2009009633-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |
| CN-1660834-A | Compound containing o-naphthaquinone and application | UNIV ZHONGSHAN (CN) | 2005-08-31 | — | — | CN | disclosed |
| US-4325962-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS | BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4146721-A | ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1979-03-27 | — | — | US | disclosed |