⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL505214 | 0.67 | NOS3 (0.50) | — | |
| SCHEMBL16474023 | 0.62 | NOS3 (0.46) | — | |
| SCHEMBL3289230 | 0.59 | — | — | |
| SCHEMBL6965410 | 0.59 | — | — | |
| SCHEMBL1381999 | 0.44 | — | — | |
| SCHEMBL2980121 | 0.34 | — | — | |
| SCHEMBL10809007 | 0.31 | — | — | |
| SCHEMBL871053 | 0.29 | — | — | |
| SCHEMBL17045846 | 0.29 | — | — | |
| Phosphine SCHEMBL23827841 | 0.25 | — | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518899-A | Tetraborate ethanes compound and preparation method thereof | 中国科学技术大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-106243132-A | A kind of Ni metal (I) coordination compound and its preparation method and application | 山西大学 | 2016-12-21 | — | — | CN | disclosed |
| CN-104011018-B | Can be used for preparing the tall and erect synthetic method of Pyrrolobenzodiazepines and intermediate | 麦迪穆有限责任公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-105612163-A | Process for trans-selective hydroboration of internal alkynes | STUDIENGESELLSCHAFT KOHLE MBH | 2016-05-25 | — | — | CN | disclosed |
| CN-102712619-B | 5-hydroxy pyrimidine-4-carboxamides derivatives | DAIICHI SANKYO Co.,Ltd. (JP) | 2015-11-25 | — | — | CN | disclosed |
| CN-105017299-A | 1,4-dialkenyl boron compound preparation method | ZHONG CHONGMIN | 2015-11-04 | — | — | CN | disclosed |
| CN-102648198-B | Pyridine derivatives as S1P1/EDG1 receptor modulators | ACTELION PHARMACEUTICALS LTD | 2015-04-01 | — | — | CN | disclosed |
| CN-102471328-B | Pyridin-4-yl derivatives | ACTELION PHARMACEUTICALS LTD | 2015-04-01 | — | — | CN | disclosed |
| CN-104011018-A | SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES | SPIROGEN SARL | 2014-08-27 | — | — | CN | disclosed |
| CN-102007107-B | Novel aminomethyl benzene derivatives | ACTELION PHARMACEUTICALS LTD | 2014-07-23 | — | — | CN | disclosed |
| CN-101341118-A | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX INC (US) | 2009-01-07 | — | — | CN | disclosed |
| CN-101203481-A | Trihydroxy polyunsaturated eicosanoid derivatives | UNIV SOUTHERN CALIFORNIA (US) | 2008-06-18 | — | — | CN | disclosed |
| US-20080090829-A1 | SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS | PFIZER INC. | 2008-04-17 | — | — | US | disclosed |
| CN-101151234-A | Process for producing cyclopropylphenol derivative | SANKYO AGRO CO LTD (JP) | 2008-03-26 | — | — | CN | disclosed |
| CN-101037388-A | Multifunctional ion liquid system, preparation and application thereof | UNIV EAST CHINA NORMAL (CN) | 2007-09-19 | — | — | CN | disclosed |
| CN-1953974-A | Pyrimidine derivatives for the treatment of abnormal cell growth | PFIZER (US) | 2007-04-25 | — | — | CN | disclosed |
| CN-1931845-A | Alkaline ionic liquid and its prepn process and application | UNIV EAST CHINA NORMAL (CN) | 2007-03-21 | — | — | CN | disclosed |
| CN-1230421-C | Amide compound and pharmaceutical use thereof | MITSUBISHI CHEM CORP (JP) | 2005-12-07 | — | — | CN | disclosed |
| CN-1381444-A | Method for preparing flixonase and its correlative 17 bata-carbothionate using carbothioic acid synthetic method and extraction method | ABBOTT LAB (US) | 2002-11-27 | — | — | CN | disclosed |
| CN-1346348-A | Amide compound and pharmaceutical use thereof | YOSHITOMI PHARMACEUTICAL (JP) | 2002-04-24 | — | — | CN | disclosed |