⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31169667 | 1.00 | — | — | |
| SCHEMBL1864082 | 0.77 | — | — | |
| SCHEMBL4195013 | 0.77 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29350623 | 0.73 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1155123 | 0.73 | TSHR (1.00) | — | |
| 1,2-Dichlorobenzene SCHEMBL5190 | 0.73 | — | — | |
| SCHEMBL29905653 | 0.73 | — | — | |
| SCHEMBL3891682 | 0.73 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL10593125 | 0.73 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL15353390 | 0.70 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478367-A | A kind of synthesis midbody compound of ketamine and the synthetic method of ketamine | 兰州大学 | 2017-03-08 | — | — | CN | claimed |
| CN-117836261-A | Process for producing halogenated bicyclo [1.1.1] pentanes | 富士胶片株式会社 | 2024-04-05 | — | — | CN | disclosed |
| CN-106478367-B | It is a kind of synthesize ketamine midbody compound and ketamine synthetic method | 兰州大学 | 2019-01-11 | — | — | CN | disclosed |
| CN-106478367-B | It is a kind of synthesize ketamine midbody compound and ketamine synthetic method | 兰州大学 | 2019-01-11 | — | — | CN | disclosed |
| CN-106478367-A | A kind of synthesis midbody compound of ketamine and the synthetic method of ketamine | 兰州大学 | 2017-03-08 | — | — | CN | disclosed |
| CN-106478367-A | A kind of synthesis midbody compound of ketamine and the synthetic method of ketamine | 兰州大学 | 2017-03-08 | — | — | CN | disclosed |
| EP-2421814-A1 | METHODS FOR PREPARING FLUORINATED VINYL ETHERS | Baxter International Inc (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123880-A1 | METHODS FOR PREPARING FLUORINATED VINYL ETHERS | BAXTER INTERNATIONAL INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| EP-2210894-A1 | Method for producing organic compounds by creating aryllithium intermediates and converting them with electrophiles | Siemens Aktiengesellschaft (DE) | 2010-07-28 | — | — | EP | disclosed |
| US-20090056802-A1 | Practical method and means for mechanosynthesis and assembly of precise nanostructures and materials including diamond, programmable systems for performing same; devices and systems produced thereby, and applications thereof | RABANI ELI MICHAEL | 2009-03-05 | — | — | US | disclosed |
| US-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |
| EP-0552645-A2 | Process for the conversion of chlorinated aromatic compounds using electrophiles | MERCK PATENT GmbH (DE) | 1993-07-28 | — | — | EP | disclosed |
| US-3941841-A | Method for synthesizing rhodoxanthin | HOFFMANN-LA ROCHE INC. (US) | 1976-03-02 | — | — | US | disclosed |