⚠ 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 | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL9486719 | 0.94 | TSHR (0.65) | — | |
| SCHEMBL7972062 | 0.92 | TSHR (0.55) | — | |
| SCHEMBL6945358 | 0.92 | TSHR (0.55) | — | |
| Butyl Chloride SCHEMBL11217691 | 0.92 | TSHR (0.61) | — | |
| 1,2-Dichloroethane SCHEMBL11148269 | 0.91 | TSHR (0.57) | — | |
| SCHEMBL28055422 | 0.91 | TSHR (0.57) | — | |
| SCHEMBL19101862 | 0.89 | TSHR (0.60) | — | |
| SCHEMBL6949049 | 0.89 | TSHR (0.60) | — | |
| SCHEMBL6949343 | 0.89 | TSHR (0.60) | — | |
| SCHEMBL11237354 | 0.89 | TSHR (0.60) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536613-B | Preparation method of high-epoxy-value alkyl glycidyl ether | 江苏扬农锦湖化工有限公司 | 2024-02-20 | — | — | CN | claimed |
| CN-115536613-A | Preparation method of alkyl glycidyl ether with high epoxy value | 江苏扬农锦湖化工有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-115536613-B | Preparation method of high-epoxy-value alkyl glycidyl ether | 江苏扬农锦湖化工有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-115536613-A | Preparation method of alkyl glycidyl ether with high epoxy value | 江苏扬农锦湖化工有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-111918647-A | NK-1 antagonists for the treatment of ocular pain | 圣拉斐尔医院有限公司 | 2020-11-10 | — | — | CN | disclosed |
| US-20160168168-A1 | PROCESS FOR PREPARING BENZOXABOROLES | GLAXOSMITHKLINE LLC | 2016-06-16 | — | — | US | disclosed |
| CN-105315838-A | Cathode electrophoretic paint liquid and preparation method therefor | TIANJIN CITY XINLIHUA COLOR MATERIAL CO LTD | 2016-02-10 | — | — | CN | disclosed |
| US-9243003-B2 | Process for preparing benzoxaboroles | GLAXOSMITHKLINE LLC (US) | 2016-01-26 | — | — | US | disclosed |
| US-9238648-B2 | Asymmetric synthesis method, related raw material and preparation method of (S,S)-2,8-diazabicyclo[4,3,0]nonane | SHANGHAI PUYI CHEMICAL TECHNOLOGY CO LTD (CN) | 2016-01-19 | — | — | US | disclosed |
| EP-2679588-B1 | ASYMMETRIC SYNTHESIS METHOD, RELATED RAW MATERIAL AND PREPARATION METHOD OF (S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE | SHANGHAI PUYI CHEMICAL TECHNOLOGY CO LTD (CN) | 2015-07-08 | — | — | EP | disclosed |
| US-20140066626-A1 | ASYMMETRIC SYNTHESIS METHOD, RELATED RAW MATERIAL AND PREPARATION METHOD OF (S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE | Shanghai Puyi Chemical Technology Co. Ltd (CN) | 2014-03-06 | — | — | US | disclosed |
| WO-2006051502-A2 | SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2006-05-18 | — | — | WO | disclosed |
| CN-1143858-C | 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof | ������ҩ������˾ | 2004-03-31 | — | — | CN | disclosed |
| US-6642231-B2 | Antineoplastic agents, treatment for neuronal injury and degeneration | AVENTIS PHARMACEUTICALS INC. | 2003-11-04 | — | — | US | disclosed |
| EP-1056744-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2003-10-22 | — | — | EP | disclosed |
| US-20030105098-A1 | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AVENTISUB II INC. | 2003-06-05 | — | — | US | disclosed |
| US-6479487-B1 | INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS | AVENTIS PHARMACEUTICALS INC. | 2002-11-12 | — | — | US | disclosed |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |
| US-4312861-A | Pharmaceutical compositions containing N-alkyl-N-(nuclearly-substituted) benzylamines having vasotonia-regulating activity | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-01-26 | — | — | US | disclosed |