⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5987780 | 0.97 | SMN1; SMN2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2840092 | 0.97 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL279148 | 0.85 | SMN1; SMN2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL655143 | 0.82 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL15836875 | 0.79 | — | — | |
| SCHEMBL2561278 | 0.78 | — | — | |
| SCHEMBL28336598 | 0.78 | — | — | |
| SCHEMBL27833677 | 0.78 | — | — | |
| SCHEMBL27554292 | 0.78 | — | — | |
| SCHEMBL12216178 | 0.76 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117897149-A | 3, 4-methylenedioxymethamphetamine and related hallucinogens and uses thereof | 人类生物科学股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| US-11325906-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2022-05-10 | — | — | US | disclosed |
| US-20210040084-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA UK LIMITED (GB) | 2021-02-11 | — | — | US | disclosed |
| US-10435398-B2 | Oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2019-10-08 | — | — | US | disclosed |
| US-9920038-B2 | Methyl oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2018-03-20 | — | — | US | disclosed |
| US-9828368-B2 | Oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-11-28 | — | — | US | disclosed |
| US-20170320865-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-09 | — | — | US | disclosed |
| US-20170320865-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-09 | — | — | US | disclosed |
| US-20170260177-A1 | METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-09-14 | — | — | US | disclosed |
| US-9695163-B2 | Thiazole orexin receptor antagonists | MERCK SHARP & DOHME CORP (US) | 2017-07-04 | — | — | US | disclosed |
| CN-101137628-A | Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators | ASTRAZENECA AB (SE) | 2008-03-05 | — | — | CN | disclosed |
| US-7211671-B2 | Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-05-01 | — | — | US | disclosed |
| US-20070082908-A1 | Bicycle pyrazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-04-12 | — | — | US | disclosed |
| US-20070082908-A1 | Bicycle pyrazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-04-12 | — | — | US | disclosed |
| US-7144902-B1 | Prodrugs of thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2006-12-05 | — | — | US | disclosed |
| CN-1754020-A | Treatment of fabrics, fibers, or yarns | NOVOZYMES NORTH AMERICA INC (US) | 2006-03-29 | — | — | CN | disclosed |
| US-20050075384-A1 | Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY | 2005-04-07 | — | — | US | disclosed |
| WO-2005019168-A2 | FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043292-A1 | Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors | PFIZER INC | 2005-02-24 | — | — | US | disclosed |
| US-6740647-B1 | AMIDINES AND HYDROXYAMIDINE DERIVATIVES | ABBOTT GMBH & CO., KG (DE) | 2004-05-25 | — | — | US | disclosed |