⚠ 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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL8710164 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL16002 | 0.97 | — | — | |
| Orthocresol SCHEMBL29395276 | 0.97 | — | — | |
| Orthocresol SCHEMBL10419161 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL170162 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL8995948 | 0.94 | — | — | |
| Orthocresol SCHEMBL5481807 | 0.94 | — | — | |
| Orthocresol SCHEMBL11664882 | 0.94 | — | — | |
| Orthocresol SCHEMBL11055588 | 0.94 | TRPA1 (0.57) | — | |
| Orthocresol SCHEMBL3890279 | 0.94 | TRPA1 (0.57) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478881-A | A kind of preparation method of butadiene/1,3- pentadiene random copolymer | 中国石油化工股份有限公司 | 2017-03-08 | — | — | CN | claimed |
| CN-102510857-B | method for producing 3-substituted-oxy-4-pyridazinol derivative | MITSUI CHEMICALS AGRO INC | 2015-05-13 | — | — | CN | claimed |
| CN-102510857-A | method for producing 3-substituted-oxy-4-pyridazinol derivative | MITSUI CHEMICALS AGRO INC | 2012-06-20 | — | — | CN | claimed |
| CN-113308267-B | Oxidation process | 摩瑞奇曼公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-113308267-A | Oxidation process | 摩瑞奇曼公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-109415636-B | Oxidation process | 摩瑞奇曼公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-106478881-A | A kind of preparation method of butadiene/1,3- pentadiene random copolymer | 中国石油化工股份有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-102510857-B | method for producing 3-substituted-oxy-4-pyridazinol derivative | MITSUI CHEMICALS AGRO INC | 2015-05-13 | — | — | CN | disclosed |
| CN-102510857-A | method for producing 3-substituted-oxy-4-pyridazinol derivative | MITSUI CHEMICALS AGRO INC | 2012-06-20 | — | — | CN | disclosed |
| CN-101796060-A | Process for preparing dihydrocarbyl hydrocarbonphosphonates | ALBEMARLE CORP | 2010-08-04 | — | — | CN | disclosed |
| US-7767825-B2 | 2,2′,6,6′-tetraoxazolinyl biphenyl ligand and method for preparing the same | SHANGHAI JIAOTONG UNIVERSITY (CN) | 2010-08-03 | — | — | US | disclosed |
| US-7754891-B2 | chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction | SHANGHAI JIAOTONG UNIVERSITY (CN) | 2010-07-13 | — | — | US | disclosed |
| US-20090156829-A1 | 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME | SHANGHAI JIAOTONG UNIVERSITY (CN) | 2009-06-18 | — | — | US | disclosed |
| US-20090043104-A1 | 2,2',6,6' - TETRAOXAZOLINYL BIPHENYL LIGAND AND METHOD FOR PREPARING THE SAME | SHANGHAI JIAOTONG UNIVERSITY (CN) | 2009-02-12 | — | — | US | disclosed |
| US-7309452-B2 | Phenolate-containing formulation with low freezing point | OMYA DEVELOPMENT AG (CH) | 2007-12-18 | — | — | US | disclosed |
| US-20070191494-A1 | PHENOLATE-CONTAINING FORMULATION WITH LOW FREEZING POINT | OMYA AG (CH) | 2007-08-16 | — | — | US | disclosed |
| US-20060065875-A1 | Phenolate-containing formulation with low freezing point | OMYA AG (CH) | 2006-03-30 | — | — | US | disclosed |
| US-6994798-B2 | Phenolate-containing formulation with low freezing point | OMYA AG (CH) | 2006-02-07 | — | — | US | disclosed |
| US-20040023939-A1 | Phenolates-containing formulation with low freezing point | OMYA DEVELOPMENT AG (CH) | 2004-02-05 | — | — | US | disclosed |