⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14327682 | 0.84 | TRPA1 (0.31) | — | |
| SCHEMBL9918695 | 0.77 | — | — | |
| SCHEMBL2531786 | 0.74 | — | — | |
| SCHEMBL10140561 | 0.71 | PTPN1 (0.31) | — | |
| SCHEMBL8248396 | 0.70 | — | — | |
| SCHEMBL765504 | 0.70 | — | — | |
| SCHEMBL13451268 | 0.70 | — | — | |
| SCHEMBL14194945 | 0.70 | — | — | |
| SCHEMBL13652629 | 0.70 | — | — | |
| SCHEMBL11913035 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070232813-A1 | Substituted Cyclohexadienals - Syntheses and Applications | THE TEXAS A&M UNIVERSITY SYSTEM | 2007-10-04 | — | — | US | claimed |
| CN-114621064-B | Method for preparing aromatic aldehyde | 中国科学院大连化学物理研究所 | 2023-04-07 | — | — | CN | disclosed |
| CN-114621064-A | Method for preparing aromatic aldehyde | 中国科学院大连化学物理研究所 | 2022-06-14 | — | — | CN | disclosed |
| EP-3144311-A1 | TRICYCLIC HETEROCYCLIC DERIVATIVE HAVING HIV REPLICATION-INHIBITING EFFECT | Shionogi & Co., Ltd. (JP) | 2017-03-22 | — | — | EP | disclosed |
| EP-2617415-A2 | USE OF A COMPOUND FOR INDUCING DIFFERENTIATION OF MESENCHYMAL STEM CELLS INTO CARTILAGE CELLS | Industry-Academic Cooperation Foundation, Yonsei University (KR) | 2013-07-24 | — | — | EP | disclosed |
| EP-2305645-B1 | ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT | NHWA PHARMA CORP (CN) | 2012-05-16 | — | — | EP | disclosed |
| US-7790869-B2 | A nucleotide having a base attached to a detectable label through a cleavable linker; has a deoxyribose comprising a cleavable chemical group capping the 3' OH group of the deoxyribose and wherein both the cleavable linker and the capping cleavable chemical group are cleavable by light | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-09-07 | — | — | US | disclosed |
| US-20080319179-A1 | A nucleotide having a base attached to a detectable label through a cleavable linker; has a deoxyribose comprising a cleavable chemical group capping the 3' OH group of the deoxyribose and wherein both the cleavable linker and the capping cleavable chemical group are cleavable by light | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2008-12-25 | — | — | US | disclosed |
| EP-1950255-A1 | CATION COMPOUND, DYE COMPOUND AND USE THEREOF, AND OPTICAL INFORMATION RECORDING MEDIUM | FUJIFILM Corporation (JP) | 2008-07-30 | — | — | EP | disclosed |
| US-20070232813-A1 | Substituted Cyclohexadienals - Syntheses and Applications | THE TEXAS A&M UNIVERSITY SYSTEM | 2007-10-04 | — | — | US | disclosed |