⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25560341 | 0.95 | ALDH1A1 (0.42) | — | |
| SCHEMBL23337420 | 0.79 | ALDH1A1 (0.37) | — | |
| Ethyl Acetate SCHEMBL28721514 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL19959731 | 0.78 | — | — | |
| SCHEMBL8555973 | 0.78 | — | — | |
| Water SCHEMBL6536621 | 0.78 | POLB (0.50) | — | |
| SCHEMBL9894424 | 0.75 | — | — | |
| SCHEMBL193470 | 0.74 | — | — | |
| SCHEMBL153914 | 0.74 | POLB (0.52) | — | |
| SCHEMBL588402 | 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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108129352-A | A kind of preparation method of 3- allyloxys propionitrile | 惠州市宙邦化工有限公司 | 2018-06-08 | — | — | CN | claimed |
| EP-1219597-B1 | Process for production of ether amine | KAO CORP (JP) | 2007-02-14 | — | — | EP | claimed |
| US-6576794-B2 | Reacting a primary or secondary alcohol with acrylonitrile in presence of an alkali metal hydroxide to obtain alkyloxypropionitrile, adding water without removing alkali metal hydroxide to effect hydrogenation using a catalyst | KAO CORPORATION (JP) | 2003-06-10 | — | — | US | claimed |
| US-20020158223-A1 | Process for production of ether amine | KAO CORPORATION (JP) | 2002-10-31 | — | — | US | claimed |
| EP-1219597-A1 | Process for production of ether amine | Kao Corporation (JP) | 2002-07-03 | — | — | EP | claimed |
| US-4498929-A | CONTAINING A SILICONE SURFACTANT TO PREVENT PREMATURE GELATION; REACTION INJECTION MOLDING | ICI AMERICAS INC. (US) | 1985-02-12 | — | — | US | claimed |
| US-4477366-A | INJECTION MOLDING OF POLYURETHANES OR POLYUREAS | ICI AMERICAS INC. (US) | 1984-10-16 | — | — | US | claimed |
| JP-61093139-A | — | — | None | — | — | JP | disclosed |
| WO-2023098477-A1 | LITHIUM-ION BATTERY | 深圳新宙邦科技股份有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023093589-A1 | LITHIUM SECONDARY BATTERY | 深圳新宙邦科技股份有限公司 | 2023-06-01 | — | — | WO | disclosed |
| US-11177506-B2 | Non-aqueous electrolyte for lithium ion battery and lithium ion battery | SHENZHEN CAPCHEM TECHNOLOGY CO., LTD. (CN) | 2021-11-16 | — | — | US | disclosed |
| US-10826123-B2 | Lithium-ion battery electrolyte and lithium-ion battery | SHENZHEN CAPCHEM TECHNOLOGY CO., LTD. (CN) | 2020-11-03 | — | — | US | disclosed |
| US-20190089000-A1 | LITHIUM-ION BATTERY ELECTROLYTE AND LITHIUM-ION BATTERY | SHENZHEN CAPCHEM TECHNOLOGY CO., LTD. (CN) | 2019-03-21 | — | — | US | disclosed |
| US-4012401-A | USED IN THE PRODUCTION OF POLYURETHANE FOAMS, CYANOALKOXYALKYL-MODIFIED | UNION CARBIDE CORPORATION (US) | 1977-03-15 | — | — | US | disclosed |
| US-3979420-A | FLAME RETARDERS FOR POLYETHERURETHANE COPOLYMERS | UNION CARBIDE CORPORATION (US) | 1976-09-07 | — | — | US | disclosed |
| US-3979419-A | STABILIZERS OF POLYESTER-URETHANE COPOLYMERS, FIREPROOFING | UNION CARBIDE CORPORATION (US) | 1976-09-07 | — | — | US | disclosed |
| US-3966784-A | CYANOALKYL MODIFIED SILOXANE FLUID | UNION CARBIDE CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3966650-A | HIGH RESILIENCE, CYANOALKOXY-ALKYL MODIFIED SILOXANE FLUID | UNION CARBIDE CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3957848-A | REACTION OF POLYETHER ALCOHOL WITH ACRYLONITRILE | UNION CARBIDE CORPORATION (US) | 1976-05-18 | — | — | US | disclosed |
| US-3943156-A | HYDROSILATION, CONDENSATION | UNION CARBIDE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |