⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL730343 | 0.80 | — | — | |
| SCHEMBL15157929 | 0.77 | — | — | |
| SCHEMBL5697643 | 0.75 | — | — | |
| SCHEMBL21056134 | 0.74 | — | — | |
| SCHEMBL28760019 | 0.71 | — | — | |
| SCHEMBL29004203 | 0.70 | — | — | |
| SCHEMBL27043145 | 0.70 | — | — | |
| SCHEMBL392008 | 0.68 | — | — | |
| SCHEMBL9559081 | 0.67 | — | — | |
| SCHEMBL17272724 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104327245-A | Silane end-capped polyurethane plasticizer and preparation method thereof | CHEMICAL BRANCH SHANDONG YUWANG IND CO LTD | 2015-02-04 | — | — | CN | claimed |
| CN-102959031-B | As the terephthalic acid 2-ethylhexyl methyl ester of softening agent in tackiness agent and sealing agent | BASF SE (DE) | 2016-02-10 | — | — | CN | disclosed |
| CN-102741373-B | Adhesives and sealants comprising esters based on 2-propylheptanol | BASF SE (DE) | 2015-10-07 | — | — | CN | disclosed |
| CN-104327245-A | Silane end-capped polyurethane plasticizer and preparation method thereof | CHEMICAL BRANCH SHANDONG YUWANG IND CO LTD | 2015-02-04 | — | — | CN | disclosed |
| CN-102239198-B | Cyclohexane polycarboxylic acid derivatives as plasticizers for adhesives and sealants | BASF SE | 2015-01-21 | — | — | CN | disclosed |
| US-20110144288-A1 | Production of Silylated Polyurethane and/or Polyurea | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2011-06-16 | — | — | US | disclosed |
| CN-1219809-C | Silane-terminated polydiorganosiloxane urethane copolymer | CONSORTIUM FSER ELEKTROCHEMISC (DE) | 2005-09-21 | — | — | CN | disclosed |
| CN-1498239-A | Silane-terminated polydiorganosiloxane urethane copolymer | �绯ѧ��ҵ����˾(����) | 2004-05-19 | — | — | CN | disclosed |