⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9418409 | 0.74 | ACHE (0.39) | — | |
| SCHEMBL27588001 | 0.74 | TAAR1 (0.36) | — | |
| SCHEMBL11522076 | 0.73 | ACHE (0.42) | — | |
| SCHEMBL2155974 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL1578375 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL28298655 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL29106531 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL31601025 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL29141774 | 0.71 | ACHE (0.41) | — | |
| SCHEMBL5551583 | 0.71 | CYP2A6 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102381917-B | Preparation method of biphenyl compound | ZHEJIANG ZHONGXIN CHEMICALS CO LTD | 2013-11-06 | — | — | CN | claimed |
| CN-102381917-A | Preparation method of biphenyl compound | ZHEJIANG ZHONGXIN CHEMICALS CO LTD | 2012-03-21 | — | — | CN | claimed |
| CN-102381917-B | Preparation method of biphenyl compound | ZHEJIANG ZHONGXIN CHEMICALS CO LTD | 2013-11-06 | — | — | CN | disclosed |
| CN-102381917-A | Preparation method of biphenyl compound | ZHEJIANG ZHONGXIN CHEMICALS CO LTD | 2012-03-21 | — | — | CN | disclosed |
| US-6838585-B2 | Palladium-catalyzed cross-coupling of aryldiazonium salts with arylsilanes | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2005-01-04 | — | — | US | disclosed |
| US-20030120124-A1 | Palladium-catalyzed cross-coupling of aryldiazonium salts with arylsilanes | BOARD OF SUPERVISORS OF LA. STATE UN. AND AGRICTULTURAL AND MECHANICAL COLLEGE | 2003-06-26 | — | — | US | disclosed |