⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992485 | 0.73 | — | — | |
| SCHEMBL1997210 | 0.72 | LOX (0.32) | — | |
| SCHEMBL3840181 | 0.69 | — | — | |
| SCHEMBL29834982 | 0.69 | — | — | |
| SCHEMBL17595579 | 0.67 | — | — | |
| SCHEMBL1863727 | 0.67 | — | — | |
| SCHEMBL7154941 | 0.67 | — | — | |
| SCHEMBL7572872 | 0.65 | LOX (0.33) | — | |
| SCHEMBL10566227 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL1533292 | 0.65 | ALDH1A1 (0.31) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114751809-A | Method for preparing p-bromoanisole by oxidation bromination method | 南京工业大学 | 2022-07-15 | — | — | CN | claimed |
| CN-1317334-C | Intermolecular charge transfer type fluorescent dyes and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2007-05-23 | — | — | CN | claimed |
| CN-1699502-A | Intermolecular charge transfer type fluorescent dyes and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2005-11-23 | — | — | CN | claimed |
| CN-102382066-A | Preparation method of 5-methylpyrazine-2-carboxylic acid | SUZHOU HONGRUI MEDICAL TECHNOLOGY CO LTD | 2012-03-21 | — | — | CN | disclosed |
| CN-100457739-C | Dentritic pattern compound, preparation method and application | CHINESE ACAD INST CHEMISTRY (CN) | 2009-02-04 | — | — | CN | disclosed |
| CN-101003516-A | Dentritic pattern compound, preparation method and application | CHINESE ACAD INST CHEMISTRY (CN) | 2007-07-25 | — | — | CN | disclosed |
| CN-1317334-C | Intermolecular charge transfer type fluorescent dyes and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2007-05-23 | — | — | CN | disclosed |
| CN-1699502-A | Intermolecular charge transfer type fluorescent dyes and use thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2005-11-23 | — | — | CN | disclosed |
| US-4931487-A | Chain extenders for polyurethanes | DOW CHEMICAL COMPANY | 1990-06-05 | — | — | US | disclosed |