⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL28420046 | 0.90 | — | — | |
| SCHEMBL223336 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL28199245 | 0.78 | — | — | |
| SCHEMBL24631955 | 0.72 | SLC6A4 (0.30) | — | |
| SCHEMBL10354610 | 0.72 | — | — | |
| SCHEMBL3713513 | 0.71 | GAA (0.34) | — | |
| SCHEMBL8766655 | 0.71 | GAA (0.34) | — | |
| SCHEMBL28091641 | 0.71 | GAA (0.34) | — | |
| SCHEMBL3035968 | 0.71 | GAA (0.34) | — | |
| SCHEMBL9808440 | 0.68 | EPHX1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8987517-B2 | Process for preparing cycloaliphatic amines | BASF SE (DE) | 2015-03-24 | — | — | US | claimed |
| US-20100292510-A1 | PROCESS FOR PREPARING CYCLOALIPHATIC AMINES | BASF SE (DE) | 2010-11-18 | — | — | US | claimed |
| EP-4271722-A1 | TWO-COMPONENT COATING SYSTEM | Covestro Deutschland AG (DE) | 2023-11-08 | — | — | EP | disclosed |
| CN-113929866-B | Modified resin and resin composition | 旭化成株式会社 | 2023-07-07 | — | — | CN | disclosed |
| EP-4077444-A1 | PROCESS FOR CONTINUOUS PRODUCTION OF THERMOPLASTIC POLYURETHANE | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-10-26 | — | — | EP | disclosed |
| EP-4077451-A1 | METHOD FOR ADJUSTING THE MOLECULAR WEIGHT DISTRIBUTION IN POLYCONDENSATIONS AND/OR POLYADDITIONS | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-10-26 | — | — | EP | disclosed |
| EP-4077456-A1 | ADDITIVE MANUFACTURING PROCESS USING A BUILDING MATERIAL HAVING A HIGH HARD SEGMENT CONTENT | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-10-26 | — | — | EP | disclosed |
| EP-4077437-A1 | PROCESS FOR PREPARING POLYURETHANES HAVING A HIGH REACTION ENTHALPY | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-10-26 | — | — | EP | disclosed |
| WO-2022144200-A1 | TWO-COMPONENT COATING SYSTEM | COVESTRO DEUTSCHLAND AG (DE) | 2022-07-07 | — | — | WO | disclosed |
| CN-111205424-B | Modified resin and resin composition | 旭化成株式会社 | 2022-04-08 | — | — | CN | disclosed |
| CN-113929866-A | Modified resin and resin composition | 旭化成株式会社 | 2022-01-14 | — | — | CN | disclosed |
| CN-107629183-B | Modified resin and resin composition | 旭化成株式会社 | 2021-01-05 | — | — | CN | disclosed |
| CN-111205424-A | Modified resin and resin composition | 旭化成株式会社 | 2020-05-29 | — | — | CN | disclosed |
| EP-3649169-A1 | REACTIVE RESINS CONTAINING URETHANE METHACRYLATE COMPOUNDS, REACTIVE RESIN COMPONENTS AND REACTIVE RESIN SYSTEMS AND USE THEREOF | Hilti Aktiengesellschaft (LI) | 2020-05-13 | — | — | EP | disclosed |
| WO-2019007693-A1 | REACTIVE RESINS CONTAINING URETHANE METHACRYLATE COMPOUNDS, REACTIVE RESIN COMPONENTS AND REACTIVE RESIN SYSTEMS AND USE THEREOF | HILTI AKTIENGESELLSCHAFT (LI) | 2019-01-10 | — | — | WO | disclosed |
| US-9243153-B2 | Polyisocyanate adducts as additives for radiation-curable coating material compositions | BYK-CHEMIE GMBH (DE) | 2016-01-26 | — | — | US | disclosed |
| US-20150111980-A1 | POLYISOCYANATE ADDUCTS AS ADDITIVES FOR RADIATION-CURABLE COATING MATERIAL COMPOSITIONS | BYK-CHEMIE GMBH (DE) | 2015-04-23 | — | — | US | disclosed |
| EP-2222744-A1 | POLYISOCYANATE MIXTURES CONTAINING ALICYCLIC STRUCTURAL ELEMENTS | Bayer MaterialScience AG (DE) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009074332-A1 | POLYISOCYANATE MIXTURES CONTAINING ALICYCLIC STRUCTURAL ELEMENTS | BAYER MATERIALSCIENCE AG (DE) | 2009-06-18 | — | — | WO | disclosed |