⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1118535 | 0.92 | TSHR (0.75) | — | |
| SCHEMBL11401918 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL29018669 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL1283997 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL1934930 | 0.83 | — | — | |
| SCHEMBL576408 | 0.83 | TSHR (0.88) | — | |
| Busulfan SCHEMBL4764696 | 0.83 | TSHR (1.00) | — | |
| Busulfan SCHEMBL4373 | 0.83 | TSHR (1.00) | — | |
| SCHEMBL4952202 | 0.80 | TSHR (0.94) | — | |
| SCHEMBL8592211 | 0.80 | TSHR (0.94) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108997313-A | PARP inhibitor key intermediate and preparation method thereof | 常州制药厂有限公司 | 2018-12-14 | — | — | CN | disclosed |
| US-20170174669-A1 | POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES | UNIV STRASBOURG (FR) | 2017-06-22 | — | — | US | disclosed |
| EP-2242359-B1 | SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS | UNIV STRASBOURG (FR) | 2016-06-01 | — | — | EP | disclosed |
| US-9051302-B2 | Synthesis of resorcylic acid lactones useful as therapeutic agents | UNIVERSITE DE STRASBOURG (FR) | 2015-06-09 | — | — | US | disclosed |
| US-20140031302-A1 | POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES | UNIVERSITE DE STRASBOURG (FR) | 2014-01-30 | — | — | US | disclosed |
| CN-102036943-A | Preparation of a catalyst containing CF3Method for preparing compounds of O group | MERCK PATENT GMBH | 2011-04-27 | — | — | CN | disclosed |
| US-20110082312-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS | MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) | 2011-04-07 | — | — | US | disclosed |
| US-20110082312-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS | MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) | 2011-04-07 | — | — | US | disclosed |
| US-20100292218-A1 | Treatment Of Neurofibromatosis With Radicicol And Its Derivatives | NEXGENIX PHARMACEUTICALS HOLDINGS, INC. | 2010-11-18 | — | — | US | disclosed |
| US-4115099-A | PROTECTION OF CORN | STAUFFER CHEMICAL COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4098599-A | HALOALKYL SULFONATES | STAUFFER CHEMICAL COMPANY (US) | 1978-07-04 | — | — | US | disclosed |
| US-4009190-A | PROTECTS CORN FROM HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1977-02-22 | — | — | US | disclosed |
| US-4009191-A | PROTECTS CORN FROM HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1977-02-22 | — | — | US | disclosed |
| US-3930836-A | SUBSTITUTED SULFONATE ANTIDOTE COMPOUNDS AND METHOD OF USE WITH HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1976-01-06 | — | — | US | disclosed |
| US-3930839-A | SUBSTITUTED SULFONATE ANTIDOTE COMPOSITIONS AND METHOD OF USE WITH HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1976-01-06 | — | — | US | disclosed |