⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL246812 | 1.00 | — | — | |
| SCHEMBL5674658 | 1.00 | — | — | |
| Glycolic Acid SCHEMBL28575141 | 0.91 | OR51E2 (0.44) | — | |
| SCHEMBL9565309 | 0.79 | CYP2C19 (0.37) | — | |
| SCHEMBL9565307 | 0.79 | CYP2C19 (0.37) | — | |
| Propene SCHEMBL10375990 | 0.77 | OR51E2 (0.40) | — | |
| SCHEMBL902141 | 0.77 | CYP2C19 (0.39) | — | |
| SCHEMBL31199 | 0.77 | CYP2C19 (0.39) | — | |
| Propene SCHEMBL11462760 | 0.77 | OR51E2 (0.40) | — | |
| SCHEMBL31636 | 0.77 | GRIK1 (0.48) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478505-A | High-dispersity graphene-based heat dissipation film and preparation method thereof | 徐州汇墨新材料科技有限公司 | 2023-07-25 | — | — | CN | claimed |
| US-11976083-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2024-05-07 | — | — | US | disclosed |
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-116478505-A | High-dispersity graphene-based heat dissipation film and preparation method thereof | 徐州汇墨新材料科技有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116478505-A | High-dispersity graphene-based heat dissipation film and preparation method thereof | 徐州汇墨新材料科技有限公司 | 2023-07-25 | — | — | CN | disclosed |
| EP-4143189-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-20210317134-A1 | UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF | RAPT THERAPEUTICS INC (US) | 2021-10-14 | — | — | US | disclosed |
| US-20160333043-A1 | E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose | GLYCOMIMETICS, INC. (US) | 2016-11-17 | — | — | US | disclosed |
| EP-2054510-A2 | ENANTIOSELECTIVE REPRESENTATION OF ALIPHATIC ACYCLIC ESTERS AND KETONES | Ernst-Moritz-Arndt-Universität Greifswald (DE) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008022627-A2 | METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE HYDROXYALKYL ACETATES BY RACEMATE RESOLUTION OF 4-HYDROXY-2 KETONES WITH THE HELP OF BAEYER-VILLGER MONOOXYGENASES | Ernst-Moritz-Arndt-Universität Greifswald (DE) | 2008-02-28 | — | — | WO | disclosed |
| EP-1400531-B1 | Process for the synthesis of N-((S)-1-(ethoxycarbonyl)butyl)-(S)-alanine and use in the synthesis of perindopril | SERVIER LAB (FR) | 2006-01-04 | — | — | EP | disclosed |
| WO-2005033128-A1 | METHOD FOR THE SYNTHESIS OF N-[(S)-1-CARBETHOXYBUTYL]-(S)-ALANINE AND USE THEREOF FOR THE SYNTHESIS OF PERINDOPRIL | LES LABORATOIRES SERVIER (FR) | 2005-04-14 | — | — | WO | disclosed |
| EP-1400531-A1 | Process for the synthesis of N-((S)-1-(ethoxycarbonyl)butyl)-(S)-alanine and use in the synthesis of perindopril | Les Laboratoires Servier (FR) | 2004-03-24 | — | — | EP | disclosed |