⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22551601 | 0.90 | TP53 (0.30) | — | |
| SCHEMBL22551611 | 0.81 | — | — | |
| SCHEMBL28298141 | 0.79 | — | — | |
| SCHEMBL27651678 | 0.75 | — | — | |
| SCHEMBL27631565 | 0.75 | — | — | |
| SCHEMBL28296502 | 0.74 | — | — | |
| SCHEMBL14400004 | 0.71 | PTGS1 (0.32) | — | |
| SCHEMBL22551609 | 0.70 | DPP4 (0.30) | — | |
| SCHEMBL22551603 | 0.70 | — | — | |
| SCHEMBL27474756 | 0.70 | S1PR2 (0.35) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110396165-B | Ionically hydrophilicized polyisocyanates and antioxidants | 科思创德国股份有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-112041369-B | Ionically hydrophilicized polyisocyanates, water content | 科思创知识产权两合公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-115066445-A | Polyisocyanate formulations | 科思创德国股份有限公司 | 2022-09-16 | — | — | CN | disclosed |
| CN-113651944-B | Ionically hydrophilicized polyisocyanates having improved drying properties | 科思创知识产权两合公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-112062935-B | Preparation method and application of odorless water-dispersible polyisocyanate | 广东也乐新材料制造有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-112566957-B | Ionically hydrophilicized polyisocyanates having improved drying properties | 科思创知识产权两合公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-113651944-A | Ionically hydrophilicized polyisocyanates having improved drying properties | 科思创知识产权两合公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-112566957-A | Ionically hydrophilicized polyisocyanates having improved drying properties | 科思创知识产权两合公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-112062935-A | Preparation method and application of odorless water-dispersible polyisocyanate | 广东也乐新材料制造有限公司 | 2020-12-11 | — | — | CN | disclosed |
| CN-112041369-A | Ionically hydrophilicized polyisocyanates, water content | 科思创知识产权两合公司 | 2020-12-04 | — | — | CN | disclosed |
| EP-3724251-A1 | IONIC HYDROPHILIZED POLYISOCYANATES, WATER CONTENT | Covestro Intellectual Property GmbH & Co. KG (DE) | 2020-10-21 | — | — | EP | disclosed |
| CN-110396165-A | Ionic hydrophilic polyisocyanates and antioxidant | COVESTRO DEUTSCHLAND AG | 2019-11-01 | — | — | CN | disclosed |
| CN-110396173-A | Ionic hydrophilic polyisocyanates and free radical scavenger and/or peroxide decomposer | COVESTRO DEUTSCHLAND AG | 2019-11-01 | — | — | CN | disclosed |