⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL660760 | 1.00 | — | — | |
| SCHEMBL10738039 | 0.86 | MEN1 (0.36) | — | |
| SCHEMBL2543405 | 0.86 | MEN1 (0.36) | — | |
| SCHEMBL18029845 | 0.76 | — | — | |
| SCHEMBL28158617 | 0.75 | PTPN1 (0.35) | — | |
| SCHEMBL23645791 | 0.72 | — | — | |
| SCHEMBL16383081 | 0.72 | — | — | |
| SCHEMBL29070637 | 0.72 | — | — | |
| SCHEMBL634197 | 0.72 | — | — | |
| SCHEMBL16914676 | 0.71 | MAPT (0.41) | — |
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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773279-B | Novel synthesis method of metconazole | 浙江工业大学 | 2023-12-05 | — | — | CN | claimed |
| CN-118084640-A | Preparation method of metconazole key intermediate 5- (4-chlorophenyl) methyl-2, 2-dimethylcyclopentanone | 临海市建新化工有限公司 | 2024-05-28 | — | — | CN | disclosed |
| US-20240148732-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | SCHRÖDINGER, INC. | 2024-05-09 | — | — | US | disclosed |
| EP-4284804-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | Schrödinger, Inc. (US) | 2023-12-06 | — | — | EP | disclosed |
| CN-114773279-B | Novel synthesis method of metconazole | 浙江工业大学 | 2023-12-05 | — | — | CN | disclosed |
| CN-114773279-B | Novel synthesis method of metconazole | 浙江工业大学 | 2023-12-05 | — | — | CN | disclosed |
| CN-117120442-A | Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders | 薛定谔公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022164789-A9 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | SCHRÖDINGER, INC. (US) | 2023-05-25 | — | — | WO | disclosed |
| WO-2022164789-A1 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS | SCHRÖDINGER, INC. (US) | 2022-08-04 | — | — | WO | disclosed |
| EP-2803358-B1 | 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN INC (US) | 2017-05-03 | — | — | EP | disclosed |
| US-20120045420-A1 | COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS | ALLERGAN, INC. (US) | 2012-02-23 | — | — | US | disclosed |
| US-20110172435-A1 | Treatment Of Inflammatory Bowel Disease | ALLERGAN, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| CN-102050811-A | 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN INC | 2011-05-11 | — | — | CN | disclosed |
| CN-102050812-A | 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN INC | 2011-05-11 | — | — | CN | disclosed |
| US-7855226-B2 | Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester | ALLERGAN, INC. (US) | 2010-12-21 | — | — | US | disclosed |
| CN-1758915-A | 10, 10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN INC (US) | 2006-04-12 | — | — | CN | disclosed |
| US-20050164992-A1 | Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester | ALLERGAN, INC. (US) | 2005-07-28 | — | — | US | disclosed |
| US-6875787-B2 | 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN, INC. (US) | 2005-04-05 | — | — | US | disclosed |
| US-20040235958-A1 | 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN, INC. | 2004-11-25 | — | — | US | disclosed |
| US-20040157901-A1 | 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE | ALLERGAN, INC. | 2004-08-12 | — | — | US | disclosed |