⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1081557 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL1590056 | 0.79 | — | — | |
| SCHEMBL19732912 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL44332 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081546 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL192326 | 0.77 | — | — | |
| SCHEMBL15508599 | 0.76 | NPC1 (0.39) | — | |
| SCHEMBL3692469 | 0.75 | — | — | |
| SCHEMBL2891590 | 0.75 | — | — | |
| SCHEMBL3112181 | 0.74 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109642005-A | Bi-component adhesion agent composition and preparation method | 陶氏环球技术有限责任公司 | 2019-04-16 | — | — | CN | claimed |
| CN-106902872-B | A kind of isocyanate polymeric catalyst and preparation method thereof, and its method for being used to prepare polyisocyanate | 万华化学集团股份有限公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-107021920-B | A kind of isocyanate polymeric catalyst and preparation method thereof, and its method for being used to prepare polyisocyanate | 万华化学集团股份有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-109843952-A | Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating composition and coating film | 旭化成株式会社 | 2019-06-04 | — | — | CN | disclosed |
| CN-109843953-A | Isocyanate composition, the aqueous dispersion of isocyanate composition and its manufacturing method, coating composition and film | 旭化成株式会社 | 2019-06-04 | — | — | CN | disclosed |
| CN-109642005-A | Bi-component adhesion agent composition and preparation method | 陶氏环球技术有限责任公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-109642013-A | Highly filled solvent-based adhesion agent composition and its manufacturing method | 陶氏环球技术有限责任公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-109642011-A | Highly filled solvent-based adhesion agent composition and its manufacturing method | 陶氏环球技术有限责任公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-104662060-B | Polymer, composition and purposes | 帝斯曼知识产权资产管理有限公司 | 2018-05-22 | — | — | CN | disclosed |
| CN-107540807-A | Functionalized with alkoxysilane, coating agent containing allophanate | 赢创德固赛有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-107021920-A | A kind of isocyanate polymeric catalyst and preparation method thereof, and its method for preparing PIC | 万华化学集团股份有限公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-106902872-A | A kind of isocyanate polymeric catalyst and preparation method thereof, and its method for preparing PIC | 万华化学集团股份有限公司 | 2017-06-30 | — | — | CN | disclosed |
| CN-104220474-B | Polymers, compositions and uses | 帝斯曼知识产权资产管理有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-105980393-A | METHOD FOR ISOCYANATE MODIFICATION USING CATALYSTS WITH AN NPN SEQUENCE | 科思创德国股份有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105980439-A | PROCESS FOR ISOCYANATE MODIFICATION USING SPIROCYCLIC AMMONIUM SALTS AS CATALYST | 科思创德国股份有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-1206253-C | Malonate-blocked 1, 6-diisocyanatohexane trimers stabilized with 1-amino-3, 3, 5-trimethyl-5-aminomethylcyclohexane and formaldehyde | BAYER AG (DE) | 2005-06-15 | — | — | CN | disclosed |
| CN-1371397-A | Malonate-blocked HDI trimers stabilized with IPDA and formaldehyde | BAYER AG (DE) | 2002-09-25 | — | — | CN | disclosed |